4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid

C15H16N2O3S — CID 119172820

IUPAC4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-17(9-5-8-13(18)19)15(20)12-10-16-14(21-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,19)
InChIKeyYUHDAPWHRLFKJR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.75
Rot. Bonds6

About 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid

4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (PubChem CID 119172820) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
PubChem CID119172820
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H16N2O3S/c1-17(9-5-8-13(18)19)15(20)12-10-16-14(21-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,19)
InChIKeyYUHDAPWHRLFKJR-UHFFFAOYSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid
CID 119172991
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110003773
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 111596080
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991474
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
4-[[5-(3-chlorophenyl)-4-methylthiophene-2-carbonyl]-methylamino]butanoic acid
CID 119347016
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 56535509
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 98486914

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (CID 119172820) is 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is YUHDAPWHRLFKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(9-5-8-13(18)19)15(20)12-10-16-14(21-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,18,19).
What are the key properties of 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).