3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C16H19N5O2S — CID 17452434

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)s1
InChIInChI=1S/C16H19N5O2S/c1-3-14-18-19-15(24-14)17-13(22)9-10-21-12-8-6-5-7-11(12)20(4-2)16(21)23/h5-8H,3-4,9-10H2,1-2H3,(H,17,19,22)
InChIKeyMLMRDNPILMDQIX-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.27
Rot. Bonds6

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 17452434) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID17452434
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)s1
InChIInChI=1S/C16H19N5O2S/c1-3-14-18-19-15(24-14)17-13(22)9-10-21-12-8-6-5-7-11(12)20(4-2)16(21)23/h5-8H,3-4,9-10H2,1-2H3,(H,17,19,22)
InChIKeyMLMRDNPILMDQIX-UHFFFAOYSA-N
XLogP2.27
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
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5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593015
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 17452434) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)s1.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is MLMRDNPILMDQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-14-18-19-15(24-14)17-13(22)9-10-21-12-8-6-5-7-11(12)20(4-2)16(21)23/h5-8H,3-4,9-10H2,1-2H3,(H,17,19,22).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 345.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 17452434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).