2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid

C15H16N2O4S — CID 119209553

IUPAC2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(-c2ncc(C(=O)N(C)C(C)C(=O)O)s2)cc1
InChIInChI=1S/C15H16N2O4S/c1-9(15(19)20)17(2)14(18)12-8-16-13(22-12)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H,19,20)
InChIKeyJWCVZMMRWUDZPH-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.36
Rot. Bonds5

About 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid

2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid (PubChem CID 119209553) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
PubChem CID119209553
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
SMILESCOc1ccc(-c2ncc(C(=O)N(C)C(C)C(=O)O)s2)cc1
InChIInChI=1S/C15H16N2O4S/c1-9(15(19)20)17(2)14(18)12-8-16-13(22-12)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H,19,20)
InChIKeyJWCVZMMRWUDZPH-UHFFFAOYSA-N
XLogP2.36
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 96562479
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid (CID 119209553) is 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid is COc1ccc(-c2ncc(C(=O)N(C)C(C)C(=O)O)s2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
The InChIKey is JWCVZMMRWUDZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9(15(19)20)17(2)14(18)12-8-16-13(22-12)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid has a molecular weight of 320.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119209553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).