2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid

C14H14ClNO2S — CID 106817947

IUPAC2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(C)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C14H14ClNO2S/c1-3-4-11-12(14(17)18)19-13(16-11)9-6-5-8(2)10(15)7-9/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyGNHKBFMZTYAASU-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.42
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 106817947) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID106817947
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(C)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C14H14ClNO2S/c1-3-4-11-12(14(17)18)19-13(16-11)9-6-5-8(2)10(15)7-9/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyGNHKBFMZTYAASU-UHFFFAOYSA-N
XLogP4.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522
2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359639
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
CID 68808915
2-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22686061
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 106817947) is 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccc(C)c(Cl)c2)sc1C(=O)O.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GNHKBFMZTYAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-3-4-11-12(14(17)18)19-13(16-11)9-6-5-8(2)10(15)7-9/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 295.79 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106817947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).