2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid

C14H15NO2S — CID 116852062

IUPAC2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1ccc(-c2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-3-10-4-6-11(7-5-10)14-15-9-12(18-14)8-13(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChIKeyHTTDRAVYLXIEBM-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.39
Rot. Bonds5

About 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 116852062) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID116852062
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1ccc(-c2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-3-10-4-6-11(7-5-10)14-15-9-12(18-14)8-13(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChIKeyHTTDRAVYLXIEBM-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 82302695
2-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82369371
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
CID 116852061
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 62651340
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
[4-(5-propyl-1,3-thiazol-2-yl)phenyl] pent-2-enoate
CID 54450667
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 120913270
3-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methyl-methylamino]propanoic acid
CID 122037367
2-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]methylamino]hexanoic acid
CID 120510162

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 116852062) is 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid is CCCc1ccc(-c2ncc(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HTTDRAVYLXIEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-3-10-4-6-11(7-5-10)14-15-9-12(18-14)8-13(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 261.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 116852062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).