2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid

C9H10F3NO2S — CID 106784035

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-3-5(7(14)15)6-4-13-8(16-6)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyPTSKGKVZHKBZQE-UHFFFAOYSA-N
MW253.24 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid (PubChem CID 106784035) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid
PubChem CID106784035
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-3-5(7(14)15)6-4-13-8(16-6)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyPTSKGKVZHKBZQE-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405168
(3S)-3-(5-methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405181
(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405366
(3R)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405549
Methyl 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
CID 169171775
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid
CID 169171841
3-(1,3-Thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 169694038
3-(5-Methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 169694082
3-(2-Methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 175526187
3-Fluoro-3-(1,3-thiazol-5-yl)butanoic acid
CID 83817852
2-[2-(Fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771016
2-[2-(Difluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 84772566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid (CID 106784035) is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid is CCCC(C(=O)O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid?
The InChIKey is PTSKGKVZHKBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-3-5(7(14)15)6-4-13-8(16-6)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid?
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid has a molecular weight of 253.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoic acid is sourced from PubChem (CID 106784035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).