3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C15H17N5OS — CID 86909345

IUPAC3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCn2cnc3ccccc32)s1
InChIInChI=1S/C15H17N5OS/c1-2-5-14-18-19-15(22-14)17-13(21)8-9-20-10-16-11-6-3-4-7-12(11)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,19,21)
InChIKeyXBKMLQLMLDNHFV-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.87
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 86909345) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID86909345
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCn2cnc3ccccc32)s1
InChIInChI=1S/C15H17N5OS/c1-2-5-14-18-19-15(22-14)17-13(21)8-9-20-10-16-11-6-3-4-7-12(11)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,19,21)
InChIKeyXBKMLQLMLDNHFV-UHFFFAOYSA-N
XLogP2.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
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CID 34111682
3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 50765768
3-(benzimidazol-1-yl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 78818426
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807050
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
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N-[2-(benzimidazol-1-yl)ethyl]butanamide
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3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
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3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 91960136
3-(benzimidazol-1-yl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 60573642
3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 86909345) is 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCn2cnc3ccccc32)s1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is XBKMLQLMLDNHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-5-14-18-19-15(22-14)17-13(21)8-9-20-10-16-11-6-3-4-7-12(11)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,19,21).
What are the key properties of 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 315.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 86909345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).