2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid

C13H14N2O3S — CID 113306940

IUPAC2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOCc1cccc(Nc2nc(C(=O)O)c(C)s2)c1
InChIInChI=1S/C13H14N2O3S/c1-8-11(12(16)17)15-13(19-8)14-10-5-3-4-9(6-10)7-18-2/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLWDXBGLRCJKMBN-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.04
Rot. Bonds5

About 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 113306940) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID113306940
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOCc1cccc(Nc2nc(C(=O)O)c(C)s2)c1
InChIInChI=1S/C13H14N2O3S/c1-8-11(12(16)17)15-13(19-8)14-10-5-3-4-9(6-10)7-18-2/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLWDXBGLRCJKMBN-UHFFFAOYSA-N
XLogP3.04
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methoxymethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569682
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306662
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 107856368
4-[3-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212426
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
2-bromo-5-[3-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510244
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423702

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 113306940) is 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid is COCc1cccc(Nc2nc(C(=O)O)c(C)s2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is LWDXBGLRCJKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-11(12(16)17)15-13(19-8)14-10-5-3-4-9(6-10)7-18-2/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113306940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).