1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol

C14H20F3N3O3S — CID 157039074

About 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol

1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 157039074) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

• Compound Name: 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
• PubChem CID: 157039074
• Molecular Formula: C14H20F3N3O3S
• Molecular Weight: 367.39 g/mol
• Exact Mass: 367.12
• IUPAC Name: 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
• SMILES: OC1CN(C[C@H]2CCN(c3nc(C(F)(F)F)cs3)C2)CC(O)C1O
• InChI: InChI=1S/C14H20F3N3O3S/c15-14(16,17)11-7-24-13(18-11)20-2-1-8(4-20)3-19-5-9(21)12(23)10(22)6-19/h7-10,12,21-23H,1-6H2/t8-,9?,10?,12?/m1/s1
• InChIKey: RGHZGZGANOMULH-DMRQEDOKSA-N
• XLogP: 0.39
• TPSA: 80.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.39
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?

The IUPAC name of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol (CID 157039074) is 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol.

What is the SMILES notation for 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?

The canonical SMILES for 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol is OC1CN(C[C@H]2CCN(c3nc(C(F)(F)F)cs3)C2)CC(O)C1O.

What is the InChIKey of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?

The InChIKey is RGHZGZGANOMULH-DMRQEDOKSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c15-14(16,17)11-7-24-13(18-11)20-2-1-8(4-20)3-19-5-9(21)12(23)10(22)6-19/h7-10,12,21-23H,1-6H2/t8-,9?,10?,12?/m1/s1.

What are the key properties of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol?

1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 367.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).