2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C12H13N5O2S2 — CID 2081135

IUPAC2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CCC2
InChIInChI=1S/C12H13N5O2S2/c13-10(19)9-6-2-1-3-7(6)21-11(9)16-8(18)4-20-12-14-5-15-17-12/h5H,1-4H2,(H2,13,19)(H,16,18)(H,14,15,17)
InChIKeySPHXCYDSMBDEFO-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.18
Rot. Bonds5

About 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 2081135) has the molecular formula C12H13N5O2S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID2081135
Molecular FormulaC12H13N5O2S2
Molecular Weight323.40 g/mol
Exact Mass323.05
IUPAC Name2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CCC2
InChIInChI=1S/C12H13N5O2S2/c13-10(19)9-6-2-1-3-7(6)21-11(9)16-8(18)4-20-12-14-5-15-17-12/h5H,1-4H2,(H2,13,19)(H,16,18)(H,14,15,17)
InChIKeySPHXCYDSMBDEFO-UHFFFAOYSA-N
XLogP1.18
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-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

7-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 4600878
2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2514971
5,6-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2387679
2-[[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 26930093
N-benzyl-2-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2194561
ethyl 2-{[(1H-1,2,4-triazol-3-ylthio)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2214217
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2241606
2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2514610
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 3231176
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3464815
2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3901773
2-[[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4827241

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 2081135) is 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CCC2.
What is the InChIKey of 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is SPHXCYDSMBDEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S2/c13-10(19)9-6-2-1-3-7(6)21-11(9)16-8(18)4-20-12-14-5-15-17-12/h5H,1-4H2,(H2,13,19)(H,16,18)(H,14,15,17).
What are the key properties of 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2081135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).