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

C11H8ClNO2S — CID 13073226

IUPACmethyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)ns1
InChIInChI=1S/C11H8ClNO2S/c1-15-11(14)10-6-9(13-16-10)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKeyZHOAJHKORLQLOI-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.25
Rot. Bonds2

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

methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate (PubChem CID 13073226) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
PubChem CID13073226
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Namemethyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)ns1
InChIInChI=1S/C11H8ClNO2S/c1-15-11(14)10-6-9(13-16-10)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKeyZHOAJHKORLQLOI-UHFFFAOYSA-N
XLogP3.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
CID 134280354
1-(3-phenyl-1,2-thiazol-5-yl)ethanone
CID 121218421
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
CID 137305874
methyl 5-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271225
methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117222996
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222880
methyl 4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]benzoate;hydrochloride
CID 159596067

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate (CID 13073226) is methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2)ns1.
What is the InChIKey of methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate?
The InChIKey is ZHOAJHKORLQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-15-11(14)10-6-9(13-16-10)7-3-2-4-8(12)5-7/h2-6H,1H3.
What are the key properties of methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate?
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate has a molecular weight of 253.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 13073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).