4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole

C11H10N4S — CID 47273036

IUPAC4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
SMILESCc1ccc2c(c1)nc(-c1csnn1)n2C
InChIInChI=1S/C11H10N4S/c1-7-3-4-10-8(5-7)12-11(15(10)2)9-6-16-14-13-9/h3-6H,1-2H3
InChIKeyTWKQOOKJEJITAO-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.40
Rot. Bonds1

About 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole

4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole (PubChem CID 47273036) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
PubChem CID47273036
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
SMILESCc1ccc2c(c1)nc(-c1csnn1)n2C
InChIInChI=1S/C11H10N4S/c1-7-3-4-10-8(5-7)12-11(15(10)2)9-6-16-14-13-9/h3-6H,1-2H3
InChIKeyTWKQOOKJEJITAO-UHFFFAOYSA-N
XLogP2.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole?
The IUPAC name of 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole (CID 47273036) is 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole.
What is the SMILES notation for 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole?
The canonical SMILES for 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole is Cc1ccc2c(c1)nc(-c1csnn1)n2C.
What is the InChIKey of 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole?
The InChIKey is TWKQOOKJEJITAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-3-4-10-8(5-7)12-11(15(10)2)9-6-16-14-13-9/h3-6H,1-2H3.
What are the key properties of 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole?
4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole has a molecular weight of 230.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole is sourced from PubChem (CID 47273036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).