5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide

C11H9N5OS — CID 1499026

IUPAC5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1-n1cnc2ccccc21
InChIInChI=1S/C11H9N5OS/c1-12-10(17)9-11(18-15-14-9)16-6-13-7-4-2-3-5-8(7)16/h2-6H,1H3,(H,12,17)
InChIKeyDNUHWIBTZGXJBO-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.24
Rot. Bonds2

About 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide

5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide (PubChem CID 1499026) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide
PubChem CID1499026
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1-n1cnc2ccccc21
InChIInChI=1S/C11H9N5OS/c1-12-10(17)9-11(18-15-14-9)16-6-13-7-4-2-3-5-8(7)16/h2-6H,1H3,(H,12,17)
InChIKeyDNUHWIBTZGXJBO-UHFFFAOYSA-N
XLogP1.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
N-methylimidazo[1,5-a]quinoxaline-4-carboxamide
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N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
ethyl 5-(benzotriazol-1-yl)thiadiazole-4-carboxylate
CID 1499204
[3-(benzimidazol-1-yl)pyrazol-1-yl]urea
CID 68720184
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
5-(2-aminoanilino)-N-methylthiadiazole-4-carboxamide
CID 23252071
5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide
CID 23241705
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
CID 110880427
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
[4-(benzimidazol-1-ylmethyl)thiadiazol-5-yl]hydrazine
CID 62246338

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide (CID 1499026) is 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1-n1cnc2ccccc21.
What is the InChIKey of 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide?
The InChIKey is DNUHWIBTZGXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-12-10(17)9-11(18-15-14-9)16-6-13-7-4-2-3-5-8(7)16/h2-6H,1H3,(H,12,17).
What are the key properties of 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide?
5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 1499026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).