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

C12H10ClNO2S — CID 2765538

IUPACmethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H10ClNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeyCZHCDUHYBAUDOG-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.56
Rot. Bonds2

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

methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2765538) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2765538
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Namemethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H10ClNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeyCZHCDUHYBAUDOG-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

Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
1-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 2728459
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
1-[2-(3-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 3814431
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013
(E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5920616
Ethyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carboxylate
CID 51355719
S-ethyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carbothioate
CID 51355721
S-methyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carbothioate
CID 51355722

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 2765538) is methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CZHCDUHYBAUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(4-chlorophenyl)-4-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 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2765538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).