N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide

C12H10N4OS2 — CID 167903436

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cnsn2)sc2c1CCCC2
InChIInChI=1S/C12H10N4OS2/c13-5-8-7-3-1-2-4-10(7)18-12(8)15-11(17)9-6-14-19-16-9/h6H,1-4H2,(H,15,17)
InChIKeyGZCRVJCGJOGWJY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.60
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 167903436) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID167903436
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cnsn2)sc2c1CCCC2
InChIInChI=1S/C12H10N4OS2/c13-5-8-7-3-1-2-4-10(7)18-12(8)15-11(17)9-6-14-19-16-9/h6H,1-4H2,(H,15,17)
InChIKeyGZCRVJCGJOGWJY-UHFFFAOYSA-N
XLogP2.60
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 61258931
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274886
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
2,5-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-3-carboxamide
CID 4154952
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 71944738
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-5-carboxamide
CID 18587249
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309527

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide (CID 167903436) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide is N#Cc1c(NC(=O)c2cnsn2)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is GZCRVJCGJOGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c13-5-8-7-3-1-2-4-10(7)18-12(8)15-11(17)9-6-14-19-16-9/h6H,1-4H2,(H,15,17).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 167903436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).