2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Formula:C13H10N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
MolecularFormula	C13H10N2O5S2
Smiles	OC(CC(C(O)=O)N(C(/C(/S1)=C/c2ccncc2)=O)C1=S)=O
InChI	InChI=1S/C13H10N2O5S2/c16-10(17)6-8(12(19)20)15-11(18)9(22-13(15)21)5-7-1-3-14-4-2-7/h1-5,8H,6H2,(H,16,17)(H,19,20)/t8-/m0/s1
InChIK	TUUIBVDOMQVQRI-QMMMGPOBSA-N
TotalMolweight	338.363
Molweight	338.363
MonoisotopicMass	338.003113
CLogP	-0.9364
CLogS	-2.241
H Acceptors	7
H Donors	2
TotalSurfaceArea	235.94
Relative PSA	0.53119
PolarSurfaceArea	165.19
Druglikeness	1.9147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon	racemate

Click to Load Molecule:

1 - 2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid | 2 - 2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Request More Details | 2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments