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

C15H16N2O4S — CID 120512064

IUPAC4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
SMILESCOCc1nc(C)c(C(=O)NCc2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C15H16N2O4S/c1-9-13(22-12(17-9)8-21-2)14(18)16-7-10-3-5-11(6-4-10)15(19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKJQDSZAFUCHKHJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.23
Rot. Bonds6

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

4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid (PubChem CID 120512064) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
PubChem CID120512064
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
SMILESCOCc1nc(C)c(C(=O)NCc2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C15H16N2O4S/c1-9-13(22-12(17-9)8-21-2)14(18)16-7-10-3-5-11(6-4-10)15(19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKJQDSZAFUCHKHJ-UHFFFAOYSA-N
XLogP2.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-(2-hydrazinyl-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122172016
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112826458
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 110374554
4-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylcarbamoylamino]methyl]benzoic acid
CID 122014806
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 120517845
2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid (CID 120512064) is 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid is COCc1nc(C)c(C(=O)NCc2ccc(C(=O)O)cc2)s1.
What is the InChIKey of 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid?
The InChIKey is KJQDSZAFUCHKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-13(22-12(17-9)8-21-2)14(18)16-7-10-3-5-11(6-4-10)15(19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid?
4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid has a molecular weight of 320.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 120512064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).