3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide

C14H13N3OS2 — CID 59855154

IUPAC3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCSc1nc2ccccc2n1-c1cc(C)c(C(N)=O)s1
InChIInChI=1S/C14H13N3OS2/c1-8-7-11(20-12(8)13(15)18)17-10-6-4-3-5-9(10)16-14(17)19-2/h3-7H,1-2H3,(H2,15,18)
InChIKeySVTAZIIDJUFNJX-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.22
Rot. Bonds3

About 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide

3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 59855154) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID59855154
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCSc1nc2ccccc2n1-c1cc(C)c(C(N)=O)s1
InChIInChI=1S/C14H13N3OS2/c1-8-7-11(20-12(8)13(15)18)17-10-6-4-3-5-9(10)16-14(17)19-2/h3-7H,1-2H3,(H2,15,18)
InChIKeySVTAZIIDJUFNJX-UHFFFAOYSA-N
XLogP3.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 59855154) is 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide is CSc1nc2ccccc2n1-c1cc(C)c(C(N)=O)s1.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is SVTAZIIDJUFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-8-7-11(20-12(8)13(15)18)17-10-6-4-3-5-9(10)16-14(17)19-2/h3-7H,1-2H3,(H2,15,18).
What are the key properties of 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide?
3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 59855154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).