3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C15H17N5OS — CID 861966

IUPAC3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2cnc3cc(C)c(C)cc32)s1
InChIInChI=1S/C15H17N5OS/c1-9-6-12-13(7-10(9)2)20(8-16-12)5-4-14(21)17-15-19-18-11(3)22-15/h6-8H,4-5H2,1-3H3,(H,17,19,21)
InChIKeyXQNRVKKLTLZAJP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.84
Rot. Bonds4

About 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 861966) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID861966
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2cnc3cc(C)c(C)cc32)s1
InChIInChI=1S/C15H17N5OS/c1-9-6-12-13(7-10(9)2)20(8-16-12)5-4-14(21)17-15-19-18-11(3)22-15/h6-8H,4-5H2,1-3H3,(H,17,19,21)
InChIKeyXQNRVKKLTLZAJP-UHFFFAOYSA-N
XLogP2.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 861966) is 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCn2cnc3cc(C)c(C)cc32)s1.
What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is XQNRVKKLTLZAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-6-12-13(7-10(9)2)20(8-16-12)5-4-14(21)17-15-19-18-11(3)22-15/h6-8H,4-5H2,1-3H3,(H,17,19,21).
What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 315.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 861966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).