3-amino-5-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Formula:C18H10N6OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-amino-5-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C18H10N6OS
Smiles	Nc1n[nH]c(/C(/C#N)=C/c2ccc(-c3nc(cccc4)c4s3)o2)c1C#N
InChI	InChI=1S/C18H10N6OS/c19-8-10(16-12(9-20)17(21)24-23-16)7-11-5-6-14(25-11)18-22-13-3-1-2-4-15(13)26-18/h1-7H,(H3,21,23,24)
InChIK	KCEFBRXSCONFOL-UHFFFAOYSA-N
TotalMolweight	358.384
Molweight	358.384
MonoisotopicMass	358.063679
CLogP	1.9018
CLogS	-4.535
H Acceptors	7
H Donors	2
TotalSurfaceArea	276.75
Relative PSA	0.40755
PolarSurfaceArea	156.55
Druglikeness	-0.35828
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-amino-5-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile | 2 - 3-amino-5-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Request More Details | 3-amino-5-[(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments