N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide

C15H18N2OS — CID 2931573

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(C)c(C)s1)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-4-13(12-8-6-5-7-9-12)14(18)17-15-16-10(2)11(3)19-15/h5-9,13H,4H2,1-3H3,(H,16,17,18)
InChIKeyYXNKPMQBSYSJPF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.89
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide (PubChem CID 2931573) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide
PubChem CID2931573
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(C)c(C)s1)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-4-13(12-8-6-5-7-9-12)14(18)17-15-16-10(2)11(3)19-15/h5-9,13H,4H2,1-3H3,(H,16,17,18)
InChIKeyYXNKPMQBSYSJPF-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 1245792
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
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Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181
N-(4-methylthiazol-2-yl)-2-phenylacetamide
CID 956653
N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 782768
2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 831465
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide (CID 2931573) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1nc(C)c(C)s1)c1ccccc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The InChIKey is YXNKPMQBSYSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-13(12-8-6-5-7-9-12)14(18)17-15-16-10(2)11(3)19-15/h5-9,13H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide has a molecular weight of 274.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 2931573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).