[4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol

C10H13ClF3N3OS — CID 80693230

IUPAC[4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN(CC(F)(F)F)CC2)nc1Cl
InChIInChI=1S/C10H13ClF3N3OS/c11-8-7(5-18)19-9(15-8)17-3-1-16(2-4-17)6-10(12,13)14/h18H,1-6H2
InChIKeyYAGSKFVVAPGYBY-UHFFFAOYSA-N
MW315.75 g/mol
LogP1.97
Rot. Bonds3

About [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 80693230) has the molecular formula C10H13ClF3N3OS and a molecular weight of 315.75 g/mol. Its IUPAC name is [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID80693230
Molecular FormulaC10H13ClF3N3OS
Molecular Weight315.75 g/mol
Exact Mass315.04
IUPAC Name[4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN(CC(F)(F)F)CC2)nc1Cl
InChIInChI=1S/C10H13ClF3N3OS/c11-8-7(5-18)19-9(15-8)17-3-1-16(2-4-17)6-10(12,13)14/h18H,1-6H2
InChIKeyYAGSKFVVAPGYBY-UHFFFAOYSA-N
XLogP1.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (CID 80693230) is [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCN(CC(F)(F)F)CC2)nc1Cl.
What is the InChIKey of [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is YAGSKFVVAPGYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3OS/c11-8-7(5-18)19-9(15-8)17-3-1-16(2-4-17)6-10(12,13)14/h18H,1-6H2.
What are the key properties of [4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 315.75 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-thiazol-5-yl]methanol is sourced from PubChem (CID 80693230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).