2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide

C16H17F3N4OS — CID 46880665

IUPAC2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)12-4-2-1-3-11(12)10-22-5-7-23(8-6-22)15-21-9-13(25-15)14(20)24/h1-4,9H,5-8,10H2,(H2,20,24)
InChIKeyOFOJQWGBHSVXQC-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.58
Rot. Bonds4

About 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide

2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46880665) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46880665
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)12-4-2-1-3-11(12)10-22-5-7-23(8-6-22)15-21-9-13(25-15)14(20)24/h1-4,9H,5-8,10H2,(H2,20,24)
InChIKeyOFOJQWGBHSVXQC-UHFFFAOYSA-N
XLogP2.58
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Benzylpiperazino)-1,3-thiazole-5-carbaldehyde
CID 1474677
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
MF-152
CID 11973722
N-[5-(4-fluoro-4-phenyl-piperidin-1-ylmethyl)-thiazol-2-yl]-acetamide
CID 86275306
US10913733, Example 26
CID 129251519
US10913733, Example 27
CID 129251562
US20240000767, Example 117
CID 162434999
2-(4-(2-(Trifluoromethyl)phenylthio)piperidin-1-yl)thiazole-5-carboxamide
CID 46880666
2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11551699
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108
2-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid
CID 45487280
N-methyl-2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
CID 45487353

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 46880665) is 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OFOJQWGBHSVXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c17-16(18,19)12-4-2-1-3-11(12)10-22-5-7-23(8-6-22)15-21-9-13(25-15)14(20)24/h1-4,9H,5-8,10H2,(H2,20,24).
What are the key properties of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46880665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).