ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate

C14H14ClNO4S — CID 19375962

IUPACethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(Cl)c(OC)c(OC)c2)cs1
InChIInChI=1S/C14H14ClNO4S/c1-4-20-14(17)13-16-10(7-21-13)8-5-9(15)12(19-3)11(6-8)18-2/h5-7H,4H2,1-3H3
InChIKeySSBLFQUOASMILG-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.66
Rot. Bonds5

About ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate

ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate (PubChem CID 19375962) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
PubChem CID19375962
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC Nameethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(Cl)c(OC)c(OC)c2)cs1
InChIInChI=1S/C14H14ClNO4S/c1-4-20-14(17)13-16-10(7-21-13)8-5-9(15)12(19-3)11(6-8)18-2/h5-7H,4H2,1-3H3
InChIKeySSBLFQUOASMILG-UHFFFAOYSA-N
XLogP3.66
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-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-[3-chloro-4-(dimethylcarbamoylsulfanyl)-5-methoxyphenyl]-1,3-thiazole-2-carboxylate
CID 19375905
ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
CID 46242291
ethyl 3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 63357988
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 5-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2H-triazole-4-carboxylate
CID 169401001
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
ethyl 4-(3-formyl-4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364501
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
4-[3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N'-hydroxy-1,3-thiazole-2-carboximidamide;hydrochloride
CID 135753330
ethyl 3-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propanoate;ethyl 4-phenyl-1,3-thiazole-2-carboxylate
CID 161224499

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate (CID 19375962) is ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2cc(Cl)c(OC)c(OC)c2)cs1.
What is the InChIKey of ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate?
The InChIKey is SSBLFQUOASMILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-4-20-14(17)13-16-10(7-21-13)8-5-9(15)12(19-3)11(6-8)18-2/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate has a molecular weight of 327.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 19375962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).