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

C15H18N2OS — CID 42957088

IUPAC2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C15H18N2OS/c1-4-10(2)14(18)17-15-16-11(3)13(19-15)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyKFUVPUIZWFHVSK-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.10
Rot. Bonds4

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

2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 42957088) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID42957088
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C15H18N2OS/c1-4-10(2)14(18)17-15-16-11(3)13(19-15)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyKFUVPUIZWFHVSK-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(E)-4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 134348775
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 4921109
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37200709
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 2384167
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 39189888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide (CID 42957088) is 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide is CCC(C)C(=O)Nc1nc(C)c(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KFUVPUIZWFHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-10(2)14(18)17-15-16-11(3)13(19-15)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide?
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 274.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 42957088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).