methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate

C13H12ClNO3S — CID 113456409

IUPACmethyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2c(Cl)cccc2OC)n1
InChIInChI=1S/C13H12ClNO3S/c1-17-10-5-3-4-9(14)12(10)13-15-8(7-19-13)6-11(16)18-2/h3-5,7H,6H2,1-2H3
InChIKeyZUSPQBZOEZWGKZ-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 113456409) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID113456409
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Namemethyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2c(Cl)cccc2OC)n1
InChIInChI=1S/C13H12ClNO3S/c1-17-10-5-3-4-9(14)12(10)13-15-8(7-19-13)6-11(16)18-2/h3-5,7H,6H2,1-2H3
InChIKeyZUSPQBZOEZWGKZ-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-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
methyl (2S)-2-[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]oxy-2-phenylacetate
CID 30926944
methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 103442928
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 104817796
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46432452
(2S,3R)-2-[[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29130855
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 113456409) is methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2c(Cl)cccc2OC)n1.
What is the InChIKey of methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZUSPQBZOEZWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-17-10-5-3-4-9(14)12(10)13-15-8(7-19-13)6-11(16)18-2/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-chloro-6-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-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 113456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).