1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol

C10H14F3N3OS — CID 63899579

IUPAC1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8(17)7-15-2-4-16(5-3-15)9-14-1-6-18-9/h1,6,8,17H,2-5,7H2
InChIKeyJDKOVHMVJQLVQF-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.19
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 63899579) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID63899579
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8(17)7-15-2-4-16(5-3-15)9-14-1-6-18-9/h1,6,8,17H,2-5,7H2
InChIKeyJDKOVHMVJQLVQF-UHFFFAOYSA-N
XLogP1.19
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (CID 63899579) is 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is OC(CN1CCN(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is JDKOVHMVJQLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8(17)7-15-2-4-16(5-3-15)9-14-1-6-18-9/h1,6,8,17H,2-5,7H2.
What are the key properties of 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 281.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 63899579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).