N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

C15H18N6OS2 — CID 644712

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESCc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C
InChIInChI=1S/C15H18N6OS2/c1-9-10(2)24-14(12(9)7-16)17-13(22)8-23-15-18-19-20-21(15)11-5-3-4-6-11/h11H,3-6,8H2,1-2H3,(H,17,22)
InChIKeyIWBIXXVPFAVKEO-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.07
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 644712) has the molecular formula C15H18N6OS2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID644712
Molecular FormulaC15H18N6OS2
Molecular Weight362.48 g/mol
Exact Mass362.10
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESCc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C
InChIInChI=1S/C15H18N6OS2/c1-9-10(2)24-14(12(9)7-16)17-13(22)8-23-15-18-19-20-21(15)11-5-3-4-6-11/h11H,3-6,8H2,1-2H3,(H,17,22)
InChIKeyIWBIXXVPFAVKEO-UHFFFAOYSA-N
XLogP3.07
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645846
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 649137
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 654553
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1457194
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212922
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212935
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamide
CID 649297
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 855191
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3192304
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3212918
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212971
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 728116

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 644712) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is IWBIXXVPFAVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS2/c1-9-10(2)24-14(12(9)7-16)17-13(22)8-23-15-18-19-20-21(15)11-5-3-4-6-11/h11H,3-6,8H2,1-2H3,(H,17,22).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 362.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 644712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).