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

C11H9N5OS — CID 17421337

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C11H9N5OS/c1-6-15-16-11(18-6)14-10(17)7-2-3-8-9(4-7)13-5-12-8/h2-5H,1H3,(H,12,13)(H,14,16,17)
InChIKeyISJICMSOFJNYCW-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.98
Rot. Bonds2

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 17421337) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID17421337
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C11H9N5OS/c1-6-15-16-11(18-6)14-10(17)7-2-3-8-9(4-7)13-5-12-8/h2-5H,1H3,(H,12,13)(H,14,16,17)
InChIKeyISJICMSOFJNYCW-UHFFFAOYSA-N
XLogP1.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120783
N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 91943716
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 60630447
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 17421337) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is Cc1nnc(NC(=O)c2ccc3nc[nH]c3c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ISJICMSOFJNYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-6-15-16-11(18-6)14-10(17)7-2-3-8-9(4-7)13-5-12-8/h2-5H,1H3,(H,12,13)(H,14,16,17).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 17421337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).