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

C13H12ClNO2S — CID 51355986

IUPACmethyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC
InChIInChI=1S/C13H12ClNO2S/c1-3-10-11(13(16)17-2)18-12(15-10)8-4-6-9(14)7-5-8/h4-7H,3H2,1-2H3
InChIKeyIEETZSNVRZSHFZ-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.81
Rot. Bonds3

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

methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 51355986) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID51355986
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Namemethyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC
InChIInChI=1S/C13H12ClNO2S/c1-3-10-11(13(16)17-2)18-12(15-10)8-4-6-9(14)7-5-8/h4-7H,3H2,1-2H3
InChIKeyIEETZSNVRZSHFZ-UHFFFAOYSA-N
XLogP3.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.81
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
5-{[(4-Chlorobenzoyl)oxy]ethanimidoyl}-4-methyl-2-phenyl-1,3-thiazole
CID 9581914
Ethyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carboxylate
CID 51355719
2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 51356265
Methyl 4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 51356268

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate (CID 51355986) is methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate is CCc1nc(-c2ccc(Cl)cc2)sc1C(=O)OC.
What is the InChIKey of methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is IEETZSNVRZSHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-3-10-11(13(16)17-2)18-12(15-10)8-4-6-9(14)7-5-8/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate?
methyl 2-(4-chlorophenyl)-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 281.76 g/mol, XLogP of 3.81, 3 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-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51355986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).