(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate

C12H12N2O3S — CID 175547229

IUPAC(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
SMILESCOc1cccc(COC(=O)c2csc(N)n2)c1
InChIInChI=1S/C12H12N2O3S/c1-16-9-4-2-3-8(5-9)6-17-11(15)10-7-18-12(13)14-10/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyHJYUPWIQDSHSDD-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.09
Rot. Bonds4

About (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate

(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate (PubChem CID 175547229) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
PubChem CID175547229
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
SMILESCOc1cccc(COC(=O)c2csc(N)n2)c1
InChIInChI=1S/C12H12N2O3S/c1-16-9-4-2-3-8(5-9)6-17-11(15)10-7-18-12(13)14-10/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyHJYUPWIQDSHSDD-UHFFFAOYSA-N
XLogP2.09
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
4-(3-Methoxyphenyl)ethynyl(thiazol)-2-amine
CID 51050147
4-[(4-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 3865674
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylic acid
CID 9582415
ethyl 2-[(2E)-2-[1-(2-oxochromen-3-yl)ethylidene]hydrazino]thiazole-4-carboxylate
CID 44221892
(2-Aminothiazol-4-yl)methyl 2-[2-(trifluoromethoxy)phenyl]acetate
CID 57379731
2-p-Methoxybenzylidenehydrazino-4-carboxythiazole
CID 2783582
ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
CID 2807544
ethyl 2-[(2Z)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
CID 5714277
Ethyl 2-(3-(4-methoxyphenethyl)ureido)thiazole-4-carboxylate
CID 45503505
(2-Ethylphenyl) 2-methyl-1,3-thiazole-4-carboxylate
CID 86812798
Methyl 2-((2-aminothiazol-4-yl)methoxy)-4-fluorobenzoate
CID 86642874

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate (CID 175547229) is (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate is COc1cccc(COC(=O)c2csc(N)n2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate?
The InChIKey is HJYUPWIQDSHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-9-4-2-3-8(5-9)6-17-11(15)10-7-18-12(13)14-10/h2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate?
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 175547229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).