4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide

C15H19N3OS — CID 39966907

IUPAC4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
SMILESCCC[C@H](NC(=O)c1snnc1CC)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-8-13(11-9-6-5-7-10-11)16-15(19)14-12(4-2)17-18-20-14/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyAWWQBBDEWCDVPH-ZDUSSCGKSA-N
MW289.40 g/mol
LogP3.37
Rot. Bonds6

About 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide

4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide (PubChem CID 39966907) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
PubChem CID39966907
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
SMILESCCC[C@H](NC(=O)c1snnc1CC)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-8-13(11-9-6-5-7-10-11)16-15(19)14-12(4-2)17-18-20-14/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyAWWQBBDEWCDVPH-ZDUSSCGKSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
1-phenylbutylurea
CID 2852079
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204140
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 46523449
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide (CID 39966907) is 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide is CCC[C@H](NC(=O)c1snnc1CC)c1ccccc1.
What is the InChIKey of 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide?
The InChIKey is AWWQBBDEWCDVPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-8-13(11-9-6-5-7-10-11)16-15(19)14-12(4-2)17-18-20-14/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 39966907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).