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

C12H10ClNO2S — CID 86660450

IUPACmethyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C)nc1-c1ccccc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-14-10(11(17-7)12(15)16-2)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyMCBPWXYGHRRENB-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.56
Rot. Bonds2

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

methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate (PubChem CID 86660450) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
PubChem CID86660450
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Namemethyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C)nc1-c1ccccc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-14-10(11(17-7)12(15)16-2)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyMCBPWXYGHRRENB-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

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Related Compounds

methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 174844080
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82540986
4-(2-chlorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082381
[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617882
4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide
CID 87217566
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl (E)-3-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]but-2-enoate
CID 110447202
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618549
methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate
CID 121005439

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate (CID 86660450) is methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(C)nc1-c1ccccc1Cl.
What is the InChIKey of methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MCBPWXYGHRRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-14-10(11(17-7)12(15)16-2)8-5-3-4-6-9(8)13/h3-6H,1-2H3.
What are the key properties of methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate?
methyl 4-(2-chlorophenyl)-2-methyl-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-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86660450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).