4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C11H14F3N3O2S — CID 136540986

IUPAC4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1O
InChIInChI=1S/C11H14F3N3O2S/c1-10(2)5-17(4-6(10)18)9(19)16-8-15-3-7(20-8)11(12,13)14/h3,6,18H,4-5H2,1-2H3,(H,15,16,19)
InChIKeyDOYMRKAFZBYITH-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.40
Rot. Bonds1

About 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 136540986) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID136540986
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1O
InChIInChI=1S/C11H14F3N3O2S/c1-10(2)5-17(4-6(10)18)9(19)16-8-15-3-7(20-8)11(12,13)14/h3,6,18H,4-5H2,1-2H3,(H,15,16,19)
InChIKeyDOYMRKAFZBYITH-UHFFFAOYSA-N
XLogP2.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 136540986) is 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is CC1(C)CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1O.
What is the InChIKey of 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is DOYMRKAFZBYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-10(2)5-17(4-6(10)18)9(19)16-8-15-3-7(20-8)11(12,13)14/h3,6,18H,4-5H2,1-2H3,(H,15,16,19).
What are the key properties of 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3-dimethyl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136540986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).