ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate

C12H9Cl2NO2S — CID 46242291

IUPACethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)11-15-10(6-18-11)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3
InChIKeyZBPLCQNDFYGOCX-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.29
Rot. Bonds3

About ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate

ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate (PubChem CID 46242291) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
PubChem CID46242291
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)11-15-10(6-18-11)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3
InChIKeyZBPLCQNDFYGOCX-UHFFFAOYSA-N
XLogP4.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
ethyl 4-(3-formyl-4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364501
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
ethyl 4-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697597
ethyl 1-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propan-2-yl]pyrazole-4-carboxylate
CID 58127643
ethyl 4-[3-chloro-4-(dimethylcarbamoylsulfanyl)-5-methoxyphenyl]-1,3-thiazole-2-carboxylate
CID 19375905
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
ethyl 3-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propanoate;ethyl 4-phenyl-1,3-thiazole-2-carboxylate
CID 161224499
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate (CID 46242291) is ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate?
The InChIKey is ZBPLCQNDFYGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)11-15-10(6-18-11)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate has a molecular weight of 302.18 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 46242291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).