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

C8H10F3N3S — CID 69070055

IUPAC(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(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/t5-/m1/s1
InChIKeyWRHBGDUJGCNLTM-RXMQYKEDSA-N
MW237.25 g/mol
LogP1.70
Rot. Bonds1

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

(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 69070055) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID69070055
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(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/t5-/m1/s1
InChIKeyWRHBGDUJGCNLTM-RXMQYKEDSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 69070055) is (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is N[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is WRHBGDUJGCNLTM-RXMQYKEDSA-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/t5-/m1/s1.
What are the key properties of (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
(3R)-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 (3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 69070055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).