2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H19F3N4S — CID 62557306

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19F3N4S/c1-10(8-16-9-12(13,14)15)18-3-5-19(6-4-18)11-17-2-7-20-11/h2,7,10,16H,3-6,8-9H2,1H3
InChIKeyVETPNRBFXAGFHP-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62557306) has the molecular formula C12H19F3N4S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62557306
Molecular FormulaC12H19F3N4S
Molecular Weight308.37 g/mol
Exact Mass308.13
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19F3N4S/c1-10(8-16-9-12(13,14)15)18-3-5-19(6-4-18)11-17-2-7-20-11/h2,7,10,16H,3-6,8-9H2,1H3
InChIKeyVETPNRBFXAGFHP-UHFFFAOYSA-N
XLogP1.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62557306) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VETPNRBFXAGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S/c1-10(8-16-9-12(13,14)15)18-3-5-19(6-4-18)11-17-2-7-20-11/h2,7,10,16H,3-6,8-9H2,1H3.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62557306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).