2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

C15H15F3N4O3S — CID 66911476

IUPAC2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)11-3-6-22(20-11)7-12(23)21-4-1-9(2-5-21)13-19-10(8-26-13)14(24)25/h3,6,8-9H,1-2,4-5,7H2,(H,24,25)
InChIKeyIEFLMMMJYNHZTG-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66911476) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID66911476
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC Name2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)11-3-6-22(20-11)7-12(23)21-4-1-9(2-5-21)13-19-10(8-26-13)14(24)25/h3,6,8-9H,1-2,4-5,7H2,(H,24,25)
InChIKeyIEFLMMMJYNHZTG-UHFFFAOYSA-N
XLogP2.46
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid (CID 66911476) is 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IEFLMMMJYNHZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c16-15(17,18)11-3-6-22(20-11)7-12(23)21-4-1-9(2-5-21)13-19-10(8-26-13)14(24)25/h3,6,8-9H,1-2,4-5,7H2,(H,24,25).
What are the key properties of 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 388.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66911476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).