4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid

C13H13NO2S — CID 79015048

IUPAC4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C13H13NO2S/c1-2-6-10-14-11(12(17-10)13(15)16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyCYXPGHOHYSTKEO-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.46
Rot. Bonds4

About 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid

4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 79015048) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID79015048
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C13H13NO2S/c1-2-6-10-14-11(12(17-10)13(15)16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyCYXPGHOHYSTKEO-UHFFFAOYSA-N
XLogP3.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 113390002
2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 81173771
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060
4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
4-(2-chlorophenyl)-2-pentyl-1,3-thiazole-5-carboxylic acid
CID 22437363
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95478146
2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 82227655
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid (CID 79015048) is 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CYXPGHOHYSTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-2-6-10-14-11(12(17-10)13(15)16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16).
What are the key properties of 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid?
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79015048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).