2-[[4-cyano-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-cyclopropylacetamide

Formula:C14H16N4O2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-cyano-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-cyclopropylacetamide is a drug-like molecule.

MolName	2-[[4-cyano-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-cyclopropylacetamide
MolecularFormula	C14H16N4O2S3
Smiles	N#Cc1c(SCC(NC2CC2)=O)snc1SCC(NC1CC1)=O
InChI	InChI=1S/C14H16N4O2S3/c15-5-10-13(21-6-11(19)16-8-1-2-8)18-23-14(10)22-7-12(20)17-9-3-4-9/h8-9H,1-4,6-7H2,(H,16,19)(H,17,20)
InChIK	DVCSZZKSYIWEAO-UHFFFAOYSA-N
TotalMolweight	368.505
Molweight	368.505
MonoisotopicMass	368.043536
CLogP	1.4356
CLogS	-3.031
H Acceptors	6
H Donors	2
TotalSurfaceArea	263.63
Relative PSA	0.48883
PolarSurfaceArea	173.72
Druglikeness	-0.50302
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	10
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[4-cyano-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-cyclopropylacetamide | 2 - 2-[[4-cyano-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-cyclopropylacetamide

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