5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole

C13H14N4S — CID 166178508

IUPAC5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole
SMILESCc1cc2ncn(Cc3snnc3C)c2cc1C
InChIInChI=1S/C13H14N4S/c1-8-4-11-12(5-9(8)2)17(7-14-11)6-13-10(3)15-16-18-13/h4-5,7H,6H2,1-3H3
InChIKeyUIBYVUPYOHRRSK-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.86
Rot. Bonds2

About 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole

5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole (PubChem CID 166178508) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole
PubChem CID166178508
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole
SMILESCc1cc2ncn(Cc3snnc3C)c2cc1C
InChIInChI=1S/C13H14N4S/c1-8-4-11-12(5-9(8)2)17(7-14-11)6-13-10(3)15-16-18-13/h4-5,7H,6H2,1-3H3
InChIKeyUIBYVUPYOHRRSK-UHFFFAOYSA-N
XLogP2.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole?
The IUPAC name of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole (CID 166178508) is 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole?
The canonical SMILES for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole is Cc1cc2ncn(Cc3snnc3C)c2cc1C.
What is the InChIKey of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole?
The InChIKey is UIBYVUPYOHRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-4-11-12(5-9(8)2)17(7-14-11)6-13-10(3)15-16-18-13/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole?
5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole has a molecular weight of 258.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole is sourced from PubChem (CID 166178508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).