chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate

C12H11Cl2NO2S — CID 20535196

IUPACchlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)s1.Clc1ccccc1
InChIInChI=1S/C6H6ClNO2S.C6H5Cl/c1-2-10-5(9)4-3-8-6(7)11-4;7-6-4-2-1-3-5-6/h3H,2H2,1H3;1-5H
InChIKeyULQASQAVHBQBOY-UHFFFAOYSA-N
MW304.20 g/mol
LogP4.31
Rot. Bonds2

About chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate

chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate (PubChem CID 20535196) has the molecular formula C12H11Cl2NO2S and a molecular weight of 304.20 g/mol. Its IUPAC name is chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namechlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
PubChem CID20535196
Molecular FormulaC12H11Cl2NO2S
Molecular Weight304.20 g/mol
Exact Mass302.99
IUPAC Namechlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)s1.Clc1ccccc1
InChIInChI=1S/C6H6ClNO2S.C6H5Cl/c1-2-10-5(9)4-3-8-6(7)11-4;7-6-4-2-1-3-5-6/h3H,2H2,1H3;1-5H
InChIKeyULQASQAVHBQBOY-UHFFFAOYSA-N
XLogP4.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
CID 59823678
ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 141359710
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate
CID 66643683
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 141349333

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate?
The IUPAC name of chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate (CID 20535196) is chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Cl)s1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate?
The InChIKey is ULQASQAVHBQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S.C6H5Cl/c1-2-10-5(9)4-3-8-6(7)11-4;7-6-4-2-1-3-5-6/h3H,2H2,1H3;1-5H.
What are the key properties of chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate?
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate has a molecular weight of 304.20 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 20535196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).