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

C10H12F3N3OS — CID 51078833

IUPAC3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)7-8(17)15-2-4-16(5-3-15)9-14-1-6-18-9/h1,6H,2-5,7H2
InChIKeyAACHAWGAELDTPQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.74
Rot. Bonds2

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

3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 51078833) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID51078833
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)7-8(17)15-2-4-16(5-3-15)9-14-1-6-18-9/h1,6H,2-5,7H2
InChIKeyAACHAWGAELDTPQ-UHFFFAOYSA-N
XLogP1.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 51078833) is 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is AACHAWGAELDTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)7-8(17)15-2-4-16(5-3-15)9-14-1-6-18-9/h1,6H,2-5,7H2.
What are the key properties of 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 279.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51078833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).