2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid

C14H14N2O3S — CID 43240578

IUPAC2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
SMILESCc1nc(C)c(C(=O)NC(C(=O)O)c2ccccc2)s1
InChIInChI=1S/C14H14N2O3S/c1-8-12(20-9(2)15-8)13(17)16-11(14(18)19)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPPJFJIIXBSGTPF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.32
Rot. Bonds4

About 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid (PubChem CID 43240578) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
PubChem CID43240578
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
SMILESCc1nc(C)c(C(=O)NC(C(=O)O)c2ccccc2)s1
InChIInChI=1S/C14H14N2O3S/c1-8-12(20-9(2)15-8)13(17)16-11(14(18)19)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPPJFJIIXBSGTPF-UHFFFAOYSA-N
XLogP2.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 71949658
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
2,4-dimethyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 92597751
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120518141

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid (CID 43240578) is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid is Cc1nc(C)c(C(=O)NC(C(=O)O)c2ccccc2)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is PPJFJIIXBSGTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-12(20-9(2)15-8)13(17)16-11(14(18)19)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid?
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 43240578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).