5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

C11H8ClNO3S — CID 106510457

IUPAC5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2scnc2C(=O)O)cc1Cl
InChIInChI=1S/C11H8ClNO3S/c1-16-8-3-2-6(4-7(8)12)10-9(11(14)15)13-5-17-10/h2-5H,1H3,(H,14,15)
InChIKeyFTTGBDVOLSAPQS-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.17
Rot. Bonds3

About 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510457) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510457
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2scnc2C(=O)O)cc1Cl
InChIInChI=1S/C11H8ClNO3S/c1-16-8-3-2-6(4-7(8)12)10-9(11(14)15)13-5-17-10/h2-5H,1H3,(H,14,15)
InChIKeyFTTGBDVOLSAPQS-UHFFFAOYSA-N
XLogP3.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106510544
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
CID 114026544
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
4-(3-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 116866925
5-[4-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 57279552
6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
CID 163905465
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 106510457) is 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2scnc2C(=O)O)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FTTGBDVOLSAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-16-8-3-2-6(4-7(8)12)10-9(11(14)15)13-5-17-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).