4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Formula:C14H11N5OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H11N5OS
Smiles	S=C(NN=C1c2cnccc2)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C14H11N5OS/c21-14-18-17-13(11-4-1-7-15-10-11)19(14)16-8-2-5-12-6-3-9-20-12/h1-10H,(H,18,21)
InChIK	CQJBZPDDNPDNNX-UHFFFAOYSA-N
TotalMolweight	297.341
Molweight	297.341
MonoisotopicMass	297.06843
CLogP	1.5011
CLogS	-3.63
H Acceptors	6
H Donors	1
TotalSurfaceArea	236.67
Relative PSA	0.38497
PolarSurfaceArea	98.11
Druglikeness	3.4767
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Request More Details | 4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments