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

C12H10ClNO2S — CID 79073840

IUPACmethyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cccc(C)c2)nc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-4-3-5-8(6-7)11-14-10(13)9(17-11)12(15)16-2/h3-6H,1-2H3
InChIKeyYIDFCOYYGCOLOC-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.56
Rot. Bonds2

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

methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 79073840) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID79073840
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Namemethyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cccc(C)c2)nc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-4-3-5-8(6-7)11-14-10(13)9(17-11)12(15)16-2/h3-6H,1-2H3
InChIKeyYIDFCOYYGCOLOC-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-2-(3-methylphenyl)-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

Related Compounds

methyl 4-chloro-2-(3-cyanophenyl)-1,3-thiazole-5-carboxylate
CID 79073335
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 2-(4-bromophenyl)-4-chloro-1,3-thiazole-5-carboxylate
CID 79079263
methyl 4-chloro-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
CID 79073332
methyl 3-amino-4-methyl-5-(3-methylphenyl)thiophene-2-carboxylate
CID 61313970
methyl 4-chloro-2-(2,3-difluorophenyl)-1,3-thiazole-5-carboxylate
CID 79078795
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
methyl 4-chloro-2-(1H-pyrrol-2-yl)-1,3-thiazole-5-carboxylate
CID 136678166
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate
CID 114520266
methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 79079553
methyl 4-chloro-2-(2-methoxy-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 60845445

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate (CID 79073840) is methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2cccc(C)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is YIDFCOYYGCOLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-4-3-5-8(6-7)11-14-10(13)9(17-11)12(15)16-2/h3-6H,1-2H3.
What are the key properties of methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 267.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 79073840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).