1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine

C14H21F3N4S — CID 75519147

IUPAC1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NC2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C14H21F3N4S/c15-14(16,17)10-20-5-1-12(9-20)19-11-2-6-21(7-3-11)13-18-4-8-22-13/h4,8,11-12,19H,1-3,5-7,9-10H2
InChIKeyZEVYORIURUQRQY-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.34
Rot. Bonds4

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

1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 75519147) has the molecular formula C14H21F3N4S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID75519147
Molecular FormulaC14H21F3N4S
Molecular Weight334.41 g/mol
Exact Mass334.14
IUPAC Name1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NC2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C14H21F3N4S/c15-14(16,17)10-20-5-1-12(9-20)19-11-2-6-21(7-3-11)13-18-4-8-22-13/h4,8,11-12,19H,1-3,5-7,9-10H2
InChIKeyZEVYORIURUQRQY-UHFFFAOYSA-N
XLogP2.34
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine (CID 75519147) is 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine is FC(F)(F)CN1CCC(NC2CCN(c3nccs3)CC2)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is ZEVYORIURUQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4S/c15-14(16,17)10-20-5-1-12(9-20)19-11-2-6-21(7-3-11)13-18-4-8-22-13/h4,8,11-12,19H,1-3,5-7,9-10H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine?
1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 334.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 75519147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).