N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide

C15H16N2O2S — CID 47290668

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1nc(CNC(=O)CCC(=O)c2ccccc2)cs1
InChIInChI=1S/C15H16N2O2S/c1-11-17-13(10-20-11)9-16-15(19)8-7-14(18)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,19)
InChIKeyYKTXUHBNXSLIMC-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.73
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide (PubChem CID 47290668) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
PubChem CID47290668
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1nc(CNC(=O)CCC(=O)c2ccccc2)cs1
InChIInChI=1S/C15H16N2O2S/c1-11-17-13(10-20-11)9-16-15(19)8-7-14(18)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,19)
InChIKeyYKTXUHBNXSLIMC-UHFFFAOYSA-N
XLogP2.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 108737245
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide (CID 47290668) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide is Cc1nc(CNC(=O)CCC(=O)c2ccccc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is YKTXUHBNXSLIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-17-13(10-20-11)9-16-15(19)8-7-14(18)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 288.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 47290668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).