2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

C15H14F3N3O2S — CID 46880715

IUPAC2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC[C@@H](Oc3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m1/s1
InChIKeyNDZZWAAUFMRWHJ-SECBINFHSA-N
MW357.36 g/mol
LogP2.92
Rot. Bonds4

About 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46880715) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46880715
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC[C@@H](Oc3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m1/s1
InChIKeyNDZZWAAUFMRWHJ-SECBINFHSA-N
XLogP2.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 46880715) is 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CC[C@@H](Oc3ccccc3C(F)(F)F)C2)s1.
What is the InChIKey of 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NDZZWAAUFMRWHJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46880715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).