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

C15H16N2O4S — CID 154795566

IUPAC5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)c2sc(C)nc2C)cc1C(=O)O
InChIInChI=1S/C15H16N2O4S/c1-8-13(22-9(2)17-8)14(18)16-7-10-4-5-12(21-3)11(6-10)15(19)20/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJPVFKQIFXQNCBN-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.40
Rot. Bonds5

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

5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid (PubChem CID 154795566) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
PubChem CID154795566
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)c2sc(C)nc2C)cc1C(=O)O
InChIInChI=1S/C15H16N2O4S/c1-8-13(22-9(2)17-8)14(18)16-7-10-4-5-12(21-3)11(6-10)15(19)20/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJPVFKQIFXQNCBN-UHFFFAOYSA-N
XLogP2.40
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
CID 71971159
2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid
CID 166367990
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078
5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 75459956
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42568657
5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
2-benzyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39945126

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid (CID 154795566) is 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid is COc1ccc(CNC(=O)c2sc(C)nc2C)cc1C(=O)O.
What is the InChIKey of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid?
The InChIKey is JPVFKQIFXQNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-8-13(22-9(2)17-8)14(18)16-7-10-4-5-12(21-3)11(6-10)15(19)20/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid?
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid has a molecular weight of 320.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 154795566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).