methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

C13H13NO3S — CID 35388334

IUPACmethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C13H13NO3S/c1-8-11(13(15)17-3)18-12(14-8)9-4-6-10(16-2)7-5-9/h4-7H,1-3H3
InChIKeyICGRXJREXCTUFZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.91
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 35388334) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID35388334
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Namemethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C13H13NO3S/c1-8-11(13(15)17-3)18-12(14-8)9-4-6-10(16-2)7-5-9/h4-7H,1-3H3
InChIKeyICGRXJREXCTUFZ-UHFFFAOYSA-N
XLogP2.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 35388334) is methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(OC)cc2)nc1C.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ICGRXJREXCTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8-11(13(15)17-3)18-12(14-8)9-4-6-10(16-2)7-5-9/h4-7H,1-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 35388334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).