2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C13H14N2O3S — CID 113451359

IUPAC2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCOc1cccc(NC(C(=O)O)c2nc(C)cs2)c1
InChIInChI=1S/C13H14N2O3S/c1-8-7-19-12(14-8)11(13(16)17)15-9-4-3-5-10(6-9)18-2/h3-7,11,15H,1-2H3,(H,16,17)
InChIKeyFMMUQPHCZPUDJQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 113451359) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID113451359
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCOc1cccc(NC(C(=O)O)c2nc(C)cs2)c1
InChIInChI=1S/C13H14N2O3S/c1-8-7-19-12(14-8)11(13(16)17)15-9-4-3-5-10(6-9)18-2/h3-7,11,15H,1-2H3,(H,16,17)
InChIKeyFMMUQPHCZPUDJQ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696202
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
1-[(2S)-2-(3-methoxyanilino)-3,3-dimethylbutyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 99787218
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 113451359) is 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is COc1cccc(NC(C(=O)O)c2nc(C)cs2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is FMMUQPHCZPUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-7-19-12(14-8)11(13(16)17)15-9-4-3-5-10(6-9)18-2/h3-7,11,15H,1-2H3,(H,16,17).
What are the key properties of 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 113451359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).