1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

C8H10F3N3S — CID 69070056

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-4-15-7(13-6)14-2-1-5(12)3-14/h4-5H,1-3,12H2
InChIKeyWRHBGDUJGCNLTM-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.70
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 69070056) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID69070056
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-4-15-7(13-6)14-2-1-5(12)3-14/h4-5H,1-3,12H2
InChIKeyWRHBGDUJGCNLTM-UHFFFAOYSA-N
XLogP1.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 69070056) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is NC1CCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is WRHBGDUJGCNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)6-4-15-7(13-6)14-2-1-5(12)3-14/h4-5H,1-3,12H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 237.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 69070056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).