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

C15H14F3N3O2S — CID 46880714

IUPAC2-[(3S)-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-/m0/s1
InChIKeyNDZZWAAUFMRWHJ-VIFPVBQESA-N
MW357.36 g/mol
LogP2.92
Rot. Bonds4

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

2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46880714) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46880714
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name2-[(3S)-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-/m0/s1
InChIKeyNDZZWAAUFMRWHJ-VIFPVBQESA-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

Analyze 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-5-carboxamide
CID 46880667
2-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)oxazole
CID 46880805
2-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,3,4-oxadiazole
CID 46880806
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135410872
(R)-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)thiazole-5-carboxamide
CID 46880715
2-[3-[2-(Trifluoromethyl)phenoxy]azetidin-1-yl]-1,3-thiazole-5-carboxamide
CID 23634373
2-{3-[2-(Trifluoromethyl)phenoxy]pyrrolidin-1-yl}-1,3-thiazole-5-carboxamide
CID 57652825
2,2,2-Trifluoro-1-[2-(4-{[2-(trifluoromethyl)phenyl]oxy}-1-piperidinyl)-1,3-thiazol-5-yl]ethanone
CID 57659025
N-hydroxy-N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 57659028
N-methoxy-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 57659037
Methyl 2-{4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl}-1,3-thiazole-5-carboxylate
CID 57659048
Methyl 2-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}-1,3-thiazole-5-carboxylate
CID 57659049

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 46880714) is 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3S)-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-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NDZZWAAUFMRWHJ-VIFPVBQESA-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-/m0/s1.
What are the key properties of 2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[(3S)-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-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46880714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).