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

C16H19N5OS — CID 31039066

IUPAC3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C16H19N5OS/c1-2-3-8-15-20-21-16(23-15)19-14(22)10-9-13-17-11-6-4-5-7-12(11)18-13/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H,19,21,22)
InChIKeyZELMYAMXVGFCKZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.33
Rot. Bonds7

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

3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 31039066) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID31039066
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C16H19N5OS/c1-2-3-8-15-20-21-16(23-15)19-14(22)10-9-13-17-11-6-4-5-7-12(11)18-13/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H,19,21,22)
InChIKeyZELMYAMXVGFCKZ-UHFFFAOYSA-N
XLogP3.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (CID 31039066) is 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is CCCCc1nnc(NC(=O)CCc2nc3ccccc3[nH]2)s1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ZELMYAMXVGFCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-3-8-15-20-21-16(23-15)19-14(22)10-9-13-17-11-6-4-5-7-12(11)18-13/h4-7H,2-3,8-10H2,1H3,(H,17,18)(H,19,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 329.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 31039066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).