oxolan-2-ylmethyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Formula:C13H13N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none oxolan-2-ylmethyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	oxolan-2-ylmethyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
MolecularFormula	C13H13N2O3ClS
Smiles	O=C(/C=C/c(n(ccs1)c1n1)c1Cl)OCC1OCCC1
InChI	InChI=1S/C13H13ClN2O3S/c14-12-10(16-5-7-20-13(16)15-12)3-4-11(17)19-8-9-2-1-6-18-9/h3-5,7,9H,1-2,6,8H2/t9-/m1/s1
InChIK	FNOLQOBXPAWZID-SECBINFHSA-N
TotalMolweight	312.776
Molweight	312.776
MonoisotopicMass	312.03354
CLogP	2.0322
CLogS	-2.086
H Acceptors	5
TotalSurfaceArea	226.92
Relative PSA	0.3187
PolarSurfaceArea	81.07
Druglikeness	-1.5393
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	8
Sp3Atoms	7
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	racemate

Click to Load Molecule:

1 - oxolan-2-ylmethyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate | 2 - oxolan-2-ylmethyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Request More Details | oxolan-2-ylmethyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments