1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide

C15H11N5O2S2 — CID 165120805

IUPAC1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)Nc3nnc(-c4cccs4)s3)ccc21
InChIInChI=1S/C15H11N5O2S2/c1-20-10-5-4-8(7-9(10)16-15(20)22)12(21)17-14-19-18-13(24-14)11-3-2-6-23-11/h2-7H,1H3,(H,16,22)(H,17,19,21)
InChIKeyGYZQPMNFUIZPSH-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide

1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 165120805) has the molecular formula C15H11N5O2S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID165120805
Molecular FormulaC15H11N5O2S2
Molecular Weight357.42 g/mol
Exact Mass357.04
IUPAC Name1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)Nc3nnc(-c4cccs4)s3)ccc21
InChIInChI=1S/C15H11N5O2S2/c1-20-10-5-4-8(7-9(10)16-15(20)22)12(21)17-14-19-18-13(24-14)11-3-2-6-23-11/h2-7H,1H3,(H,16,22)(H,17,19,21)
InChIKeyGYZQPMNFUIZPSH-UHFFFAOYSA-N
XLogP2.70
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dioxo-2-propan-2-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide
CID 108766321
2-(4-fluorophenyl)-1,3-dioxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide
CID 108744002
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108766428
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108744019
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108744010
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71885645
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
CID 108744035

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 165120805) is 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)Nc3nnc(-c4cccs4)s3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is GYZQPMNFUIZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S2/c1-20-10-5-4-8(7-9(10)16-15(20)22)12(21)17-14-19-18-13(24-14)11-3-2-6-23-11/h2-7H,1H3,(H,16,22)(H,17,19,21).
What are the key properties of 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165120805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).