methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C12H10ClNO3S — CID 106510544

IUPACmethyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H10ClNO3S/c1-16-9-4-3-7(5-8(9)13)11-10(12(15)17-2)14-6-18-11/h3-6H,1-2H3
InChIKeyRUXQMQKBIJQWBU-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.26
Rot. Bonds3

About methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate

methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 106510544) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID106510544
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Namemethyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H10ClNO3S/c1-16-9-4-3-7(5-8(9)13)11-10(12(15)17-2)14-6-18-11/h3-6H,1-2H3
InChIKeyRUXQMQKBIJQWBU-UHFFFAOYSA-N
XLogP3.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
methyl 5-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106510542
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
4-(3-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 116866925
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271349
ethyl 5-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-4-carboxylate
CID 70509833
methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 53271143
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 106510544) is methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1-c1ccc(OC)c(Cl)c1.
What is the InChIKey of methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is RUXQMQKBIJQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-16-9-4-3-7(5-8(9)13)11-10(12(15)17-2)14-6-18-11/h3-6H,1-2H3.
What are the key properties of methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).