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

C14H14ClNO2S — CID 51355987

IUPACmethyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(C)C
InChIInChI=1S/C14H14ClNO2S/c1-8(2)11-12(14(17)18-3)19-13(16-11)9-4-6-10(15)7-5-9/h4-8H,1-3H3
InChIKeyHJDUAZMGZKMXGR-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.37
Rot. Bonds3

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

methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 51355987) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID51355987
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Namemethyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(C)C
InChIInChI=1S/C14H14ClNO2S/c1-8(2)11-12(14(17)18-3)19-13(16-11)9-4-6-10(15)7-5-9/h4-8H,1-3H3
InChIKeyHJDUAZMGZKMXGR-UHFFFAOYSA-N
XLogP4.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-chlorophenyl)-4-propan-2-yl-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

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
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
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
4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester
CID 2737210
2-(2-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1486890

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 51355987) is methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(C)C.
What is the InChIKey of methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is HJDUAZMGZKMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-8(2)11-12(14(17)18-3)19-13(16-11)9-4-6-10(15)7-5-9/h4-8H,1-3H3.
What are the key properties of methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
methyl 2-(4-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 295.79 g/mol, XLogP of 4.37, 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-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51355987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).