2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

C16H14F3N3O3S — CID 45487280

IUPAC2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)
InChIKeyPHZDRQUKVAZUCA-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 45487280) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID45487280
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)
InChIKeyPHZDRQUKVAZUCA-UHFFFAOYSA-N
XLogP2.82
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

MF-152
CID 11973722
2-(4-(2-(Trifluoromethyl)benzyl)piperazin-1-yl)thiazole-5-carboxamide
CID 46880665
3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)piperidin-4-yl)-N-methylbenzamide
CID 52941934
3-(1-(5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)piperidin-4-yl)benzamide
CID 52946280
2-(4-(5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)piperazin-1-yl)benzoic acid
CID 52948994
2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11551699
N-methyl-2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
CID 45487353
1-(1,3-Thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazine
CID 45487394
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)benzamide
CID 44413236
2-(4-Benzoylpiperazin-1-yl)thiazole-5-carboxamide
CID 45487374
N-(2-cyclopropylethyl)-2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
CID 45487304
1-(1,3-Thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
CID 134161095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 45487280) is 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PHZDRQUKVAZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25).
What are the key properties of 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 385.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 45487280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).