methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

C13H12ClNO3S — CID 80574115

IUPACmethyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C13H12ClNO3S/c1-17-11-4-3-8(5-10(11)14)13-15-9(7-19-13)6-12(16)18-2/h3-5,7H,6H2,1-2H3
InChIKeyTWPXZCFGYANSAU-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 80574115) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID80574115
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Namemethyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C13H12ClNO3S/c1-17-11-4-3-8(5-10(11)14)13-15-9(7-19-13)6-12(16)18-2/h3-5,7H,6H2,1-2H3
InChIKeyTWPXZCFGYANSAU-UHFFFAOYSA-N
XLogP3.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 113456409
3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613074
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18225445
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
CID 4874786
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 80574115) is methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is TWPXZCFGYANSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-17-11-4-3-8(5-10(11)14)13-15-9(7-19-13)6-12(16)18-2/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 297.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).