2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C12H14N6O2S2 — CID 3901773

IUPAC2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCn1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C12H14N6O2S2/c1-18-12(15-16-17-18)21-5-8(19)14-11-9(10(13)20)6-3-2-4-7(6)22-11/h2-5H2,1H3,(H2,13,20)(H,14,19)
InChIKeyRZUFNMYLTHDIQM-UHFFFAOYSA-N
MW338.42 g/mol
LogP0.59
Rot. Bonds5

About 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3901773) has the molecular formula C12H14N6O2S2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID3901773
Molecular FormulaC12H14N6O2S2
Molecular Weight338.42 g/mol
Exact Mass338.06
IUPAC Name2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCn1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C12H14N6O2S2/c1-18-12(15-16-17-18)21-5-8(19)14-11-9(10(13)20)6-3-2-4-7(6)22-11/h2-5H2,1H3,(H2,13,20)(H,14,19)
InChIKeyRZUFNMYLTHDIQM-UHFFFAOYSA-N
XLogP0.59
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3901773) is 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is Cn1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is RZUFNMYLTHDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S2/c1-18-12(15-16-17-18)21-5-8(19)14-11-9(10(13)20)6-3-2-4-7(6)22-11/h2-5H2,1H3,(H2,13,20)(H,14,19).
What are the key properties of 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3901773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).