2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide

C13H16N6O3S2 — CID 24523077

IUPAC2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nnnn1CC1CCCO1
InChIInChI=1S/C13H16N6O3S2/c14-11(21)9-3-5-23-12(9)15-10(20)7-24-13-16-17-18-19(13)6-8-2-1-4-22-8/h3,5,8H,1-2,4,6-7H2,(H2,14,21)(H,15,20)
InChIKeyCOIFHNITESZDRS-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.74
Rot. Bonds7

About 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 24523077) has the molecular formula C13H16N6O3S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID24523077
Molecular FormulaC13H16N6O3S2
Molecular Weight368.44 g/mol
Exact Mass368.07
IUPAC Name2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nnnn1CC1CCCO1
InChIInChI=1S/C13H16N6O3S2/c14-11(21)9-3-5-23-12(9)15-10(20)7-24-13-16-17-18-19(13)6-8-2-1-4-22-8/h3,5,8H,1-2,4,6-7H2,(H2,14,21)(H,15,20)
InChIKeyCOIFHNITESZDRS-UHFFFAOYSA-N
XLogP0.74
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]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

2-[[2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2462446
2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41250771
2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41061337
N-(2,6-dimethylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259079
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 51259109
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9454071
N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259132
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259136
ethyl 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 55442364
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 46640384
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9454076

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide (CID 24523077) is 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1nnnn1CC1CCCO1.
What is the InChIKey of 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is COIFHNITESZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S2/c14-11(21)9-3-5-23-12(9)15-10(20)7-24-13-16-17-18-19(13)6-8-2-1-4-22-8/h3,5,8H,1-2,4,6-7H2,(H2,14,21)(H,15,20).
What are the key properties of 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 24523077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).