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

C16H18N2O3S — CID 119200350

IUPAC2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-c1nc(C(=O)N(C)C(C)(C)C(=O)O)cs1
InChIInChI=1S/C16H18N2O3S/c1-10-7-5-6-8-11(10)13-17-12(9-22-13)14(19)18(4)16(2,3)15(20)21/h5-9H,1-4H3,(H,20,21)
InChIKeyZBKYPGOFYLTDPG-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.05
Rot. Bonds4

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

2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid (PubChem CID 119200350) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
PubChem CID119200350
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-c1nc(C(=O)N(C)C(C)(C)C(=O)O)cs1
InChIInChI=1S/C16H18N2O3S/c1-10-7-5-6-8-11(10)13-17-12(9-22-13)14(19)18(4)16(2,3)15(20)21/h5-9H,1-4H3,(H,20,21)
InChIKeyZBKYPGOFYLTDPG-UHFFFAOYSA-N
XLogP3.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119200022
N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 24804359
2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200876
2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119194986
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119508196
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid (CID 119200350) is 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid is Cc1ccccc1-c1nc(C(=O)N(C)C(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The InChIKey is ZBKYPGOFYLTDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-7-5-6-8-11(10)13-17-12(9-22-13)14(19)18(4)16(2,3)15(20)21/h5-9H,1-4H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid has a molecular weight of 318.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119200350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).