3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid

C17H19NO2S — CID 82437399

IUPAC3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCCc1ccc(-c2nc(C3CC3)c(CCC(=O)O)s2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-11-3-5-13(6-4-11)17-18-16(12-7-8-12)14(21-17)9-10-15(19)20/h3-6,12H,2,7-10H2,1H3,(H,19,20)
InChIKeyZKCWCPPTIOVUSL-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.27
Rot. Bonds6

About 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid

3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82437399) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID82437399
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCCc1ccc(-c2nc(C3CC3)c(CCC(=O)O)s2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-11-3-5-13(6-4-11)17-18-16(12-7-8-12)14(21-17)9-10-15(19)20/h3-6,12H,2,7-10H2,1H3,(H,19,20)
InChIKeyZKCWCPPTIOVUSL-UHFFFAOYSA-N
XLogP4.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388
2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
CID 82436026
4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]butanoic acid
CID 145363135
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
3-[5-(4-ethylphenyl)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82133268
ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate
CID 145363237
3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432663
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid (CID 82437399) is 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid is CCc1ccc(-c2nc(C3CC3)c(CCC(=O)O)s2)cc1.
What is the InChIKey of 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is ZKCWCPPTIOVUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-11-3-5-13(6-4-11)17-18-16(12-7-8-12)14(21-17)9-10-15(19)20/h3-6,12H,2,7-10H2,1H3,(H,19,20).
What are the key properties of 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid?
3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 301.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82437399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).