4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole

C9H11ClF3N3S — CID 83156720

IUPAC4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)CN1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C9H11ClF3N3S/c10-7-5-17-8(14-7)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2
InChIKeyWJGMLAFZHNGDCL-UHFFFAOYSA-N
MW285.72 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole

4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 83156720) has the molecular formula C9H11ClF3N3S and a molecular weight of 285.72 g/mol. Its IUPAC name is 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID83156720
Molecular FormulaC9H11ClF3N3S
Molecular Weight285.72 g/mol
Exact Mass285.03
IUPAC Name4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)CN1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C9H11ClF3N3S/c10-7-5-17-8(14-7)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2
InChIKeyWJGMLAFZHNGDCL-UHFFFAOYSA-N
XLogP2.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole (CID 83156720) is 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole is FC(F)(F)CN1CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is WJGMLAFZHNGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3S/c10-7-5-17-8(14-7)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2.
What are the key properties of 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole?
4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 285.72 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 83156720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).