4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid

C13H12ClNO3S — CID 82226830

IUPAC4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCCc1nc(-c2cccc(Cl)c2)c(C(=O)O)s1
InChIInChI=1S/C13H12ClNO3S/c1-18-6-5-10-15-11(12(19-10)13(16)17)8-3-2-4-9(14)7-8/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyLZALNIWCYXDQJA-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.35
Rot. Bonds5

About 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid

4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226830) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82226830
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCCc1nc(-c2cccc(Cl)c2)c(C(=O)O)s1
InChIInChI=1S/C13H12ClNO3S/c1-18-6-5-10-15-11(12(19-10)13(16)17)8-3-2-4-9(14)7-8/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyLZALNIWCYXDQJA-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226849
4-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226845
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060
4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226825
4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
2-[5-(2-amino-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethyl benzoate
CID 91079239
4-(3-chlorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 23654019
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413
N-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62544682

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid (CID 82226830) is 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid is COCCc1nc(-c2cccc(Cl)c2)c(C(=O)O)s1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LZALNIWCYXDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-18-6-5-10-15-11(12(19-10)13(16)17)8-3-2-4-9(14)7-8/h2-4,7H,5-6H2,1H3,(H,16,17).
What are the key properties of 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.76 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).