4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide

C16H13N5O2S — CID 47067261

IUPAC4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C16H13N5O2S/c1-2-10-14(24-21-20-10)16(22)17-9-5-6-11-12(8-9)19-15(18-11)13-4-3-7-23-13/h3-8H,2H2,1H3,(H,17,22)(H,18,19)
InChIKeyJQZYRVNFRZMANM-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.49
Rot. Bonds4

About 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide (PubChem CID 47067261) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
PubChem CID47067261
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C16H13N5O2S/c1-2-10-14(24-21-20-10)16(22)17-9-5-6-11-12(8-9)19-15(18-11)13-4-3-7-23-13/h3-8H,2H2,1H3,(H,17,22)(H,18,19)
InChIKeyJQZYRVNFRZMANM-UHFFFAOYSA-N
XLogP3.49
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide (CID 47067261) is 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide?
The InChIKey is JQZYRVNFRZMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-2-10-14(24-21-20-10)16(22)17-9-5-6-11-12(8-9)19-15(18-11)13-4-3-7-23-13/h3-8H,2H2,1H3,(H,17,22)(H,18,19).
What are the key properties of 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47067261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).