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

C15H16N2O3S — CID 80549406

IUPAC2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESCc1nc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cs1
InChIInChI=1S/C15H16N2O3S/c1-9-16-12(8-21-9)13(18)17-11-6-4-10(5-7-11)15(2,3)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyUHMSXPFMUIAQCL-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.07
Rot. Bonds4

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

2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid (PubChem CID 80549406) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
PubChem CID80549406
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESCc1nc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cs1
InChIInChI=1S/C15H16N2O3S/c1-9-16-12(8-21-9)13(18)17-11-6-4-10(5-7-11)15(2,3)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyUHMSXPFMUIAQCL-UHFFFAOYSA-N
XLogP3.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 57124041
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]phenyl]propanoic acid
CID 120528726
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 81369159
tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
CID 134297257
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid (CID 80549406) is 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid is Cc1nc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cs1.
What is the InChIKey of 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is UHMSXPFMUIAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-16-12(8-21-9)13(18)17-11-6-4-10(5-7-11)15(2,3)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 80549406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).