(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine

C9H12F3N3S — CID 120836248

IUPAC(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-3-14-8(16-7)5-15-2-1-6(13)4-15/h3,6H,1-2,4-5,13H2/t6-/m0/s1
InChIKeyUDIJCYRDNQWUIV-LURJTMIESA-N
MW251.28 g/mol
LogP1.69
Rot. Bonds2

About (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine

(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 120836248) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
PubChem CID120836248
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-3-14-8(16-7)5-15-2-1-6(13)4-15/h3,6H,1-2,4-5,13H2/t6-/m0/s1
InChIKeyUDIJCYRDNQWUIV-LURJTMIESA-N
XLogP1.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine (CID 120836248) is (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine is N[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is UDIJCYRDNQWUIV-LURJTMIESA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)7-3-14-8(16-7)5-15-2-1-6(13)4-15/h3,6H,1-2,4-5,13H2/t6-/m0/s1.
What are the key properties of (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine?
(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 251.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120836248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).