1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine

C12H18F3N5S — CID 107305441

IUPAC1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3nc(C(F)(F)F)ns3)C2)CC1
InChIInChI=1S/C12H18F3N5S/c13-12(14,15)10-17-11(21-18-10)20-6-3-9(7-20)19-4-1-8(16)2-5-19/h8-9H,1-7,16H2
InChIKeyCWJMASUCBUNCNP-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.56
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 107305441) has the molecular formula C12H18F3N5S and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID107305441
Molecular FormulaC12H18F3N5S
Molecular Weight321.37 g/mol
Exact Mass321.12
IUPAC Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3nc(C(F)(F)F)ns3)C2)CC1
InChIInChI=1S/C12H18F3N5S/c13-12(14,15)10-17-11(21-18-10)20-6-3-9(7-20)19-4-1-8(16)2-5-19/h8-9H,1-7,16H2
InChIKeyCWJMASUCBUNCNP-UHFFFAOYSA-N
XLogP1.56
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]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-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine (CID 107305441) is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(c3nc(C(F)(F)F)ns3)C2)CC1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is CWJMASUCBUNCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5S/c13-12(14,15)10-17-11(21-18-10)20-6-3-9(7-20)19-4-1-8(16)2-5-19/h8-9H,1-7,16H2.
What are the key properties of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 321.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 107305441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).