N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide

C15H18N2OS — CID 1291060

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(-c2ccccc2)c(CC)s1
InChIInChI=1S/C15H18N2OS/c1-3-8-13(18)16-15-17-14(12(4-2)19-15)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyXCTJRVAGUVPROR-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.11
Rot. Bonds5

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 1291060) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID1291060
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(-c2ccccc2)c(CC)s1
InChIInChI=1S/C15H18N2OS/c1-3-8-13(18)16-15-17-14(12(4-2)19-15)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyXCTJRVAGUVPROR-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
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2-Thiazolamine, 5-ethyl-4-phenyl-
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N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
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2-Cinnamamido-4-phenylthiazole
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N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
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N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
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(2S)-2-amino-N-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
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CID 24178404

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide (CID 1291060) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(-c2ccccc2)c(CC)s1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XCTJRVAGUVPROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-8-13(18)16-15-17-14(12(4-2)19-15)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 274.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 1291060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).