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

C13H18F3N3OS — CID 63916658

IUPAC[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN(CC(F)(F)F)CC2)nc1C1CC1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)8-18-3-5-19(6-4-18)12-17-11(9-1-2-9)10(7-20)21-12/h9,20H,1-8H2
InChIKeyCVGJEHBYECNXNM-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.20
Rot. Bonds4

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

[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 63916658) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID63916658
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN(CC(F)(F)F)CC2)nc1C1CC1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)8-18-3-5-19(6-4-18)12-17-11(9-1-2-9)10(7-20)21-12/h9,20H,1-8H2
InChIKeyCVGJEHBYECNXNM-UHFFFAOYSA-N
XLogP2.20
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (CID 63916658) is [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCN(CC(F)(F)F)CC2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is CVGJEHBYECNXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c14-13(15,16)8-18-3-5-19(6-4-18)12-17-11(9-1-2-9)10(7-20)21-12/h9,20H,1-8H2.
What are the key properties of [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 321.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63916658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).