2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid

C13H12N4O2S — CID 65210202

IUPAC2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCCc1nnsc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C13H12N4O2S/c1-3-8-11(20-16-15-8)12-14-9-6-7(13(18)19)4-5-10(9)17(12)2/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeySMNAHDKQDGBSIB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid

2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 65210202) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID65210202
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCCc1nnsc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C13H12N4O2S/c1-3-8-11(20-16-15-8)12-14-9-6-7(13(18)19)4-5-10(9)17(12)2/h4-6H,3H2,1-2H3,(H,18,19)
InChIKeySMNAHDKQDGBSIB-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid (CID 65210202) is 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid is CCc1nnsc1-c1nc2cc(C(=O)O)ccc2n1C.
What is the InChIKey of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is SMNAHDKQDGBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-3-8-11(20-16-15-8)12-14-9-6-7(13(18)19)4-5-10(9)17(12)2/h4-6H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid?
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 65210202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).