2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole

C15H16F3N3S — CID 3056217

IUPAC2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole
SMILESFC(F)(F)C(c1ccccc1)c1csc(N2CCNCC2)n1
InChIInChI=1S/C15H16F3N3S/c16-15(17,18)13(11-4-2-1-3-5-11)12-10-22-14(20-12)21-8-6-19-7-9-21/h1-5,10,13,19H,6-9H2
InChIKeyUOBMMCJACYDGSH-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.25
Rot. Bonds3

About 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole

2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole (PubChem CID 3056217) has the molecular formula C15H16F3N3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole
PubChem CID3056217
Molecular FormulaC15H16F3N3S
Molecular Weight327.38 g/mol
Exact Mass327.10
IUPAC Name2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole
SMILESFC(F)(F)C(c1ccccc1)c1csc(N2CCNCC2)n1
InChIInChI=1S/C15H16F3N3S/c16-15(17,18)13(11-4-2-1-3-5-11)12-10-22-14(20-12)21-8-6-19-7-9-21/h1-5,10,13,19H,6-9H2
InChIKeyUOBMMCJACYDGSH-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiourea, N-(4-methyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001105
Thiourea, N-(4-ethyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001106
Thiourea, N-(2-phenylethyl)-N'-(4-propyl-2-thiazolyl)-
CID 3001107
Thiourea, N-(4-(1-methylethyl)-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001108
Thiourea, N-(2-phenylethyl)-N'-(4-(trifluoromethyl)-2-thiazolyl)-
CID 3001111
1-(4-Phenyl-1,3-thiazol-2-yl)piperidine
CID 879105
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-(4-ethyl-2-thiazolyl)-
CID 3001120
Thiourea, N-(4-cyano-2-thiazolyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001121
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
1-(4-Butylthiazol-2-yl)-3-phenethyl-thiourea
CID 3001109
1-[4-(4-Fluorophenyl)-2-thiazolyl]piperazine
CID 8027201
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid ethylamide
CID 1438377

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole?
The IUPAC name of 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole (CID 3056217) is 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole?
The canonical SMILES for 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole is FC(F)(F)C(c1ccccc1)c1csc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole?
The InChIKey is UOBMMCJACYDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3S/c16-15(17,18)13(11-4-2-1-3-5-11)12-10-22-14(20-12)21-8-6-19-7-9-21/h1-5,10,13,19H,6-9H2.
What are the key properties of 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole?
2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole has a molecular weight of 327.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(2,2,2-trifluoro-1-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 3056217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).