(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide

C11H14F3N3OS — CID 164633225

IUPAC(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H14F3N3OS/c1-15-10(18)7-2-3-17(5-7)6-9-16-4-8(19-9)11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H,15,18)/t7-/m0/s1
InChIKeyRKNDUXQCKKBGKY-ZETCQYMHSA-N
MW293.31 g/mol
LogP1.73
Rot. Bonds3

About (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide

(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 164633225) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID164633225
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H14F3N3OS/c1-15-10(18)7-2-3-17(5-7)6-9-16-4-8(19-9)11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H,15,18)/t7-/m0/s1
InChIKeyRKNDUXQCKKBGKY-ZETCQYMHSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide (CID 164633225) is (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is RKNDUXQCKKBGKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-15-10(18)7-2-3-17(5-7)6-9-16-4-8(19-9)11(12,13)14/h4,7H,2-3,5-6H2,1H3,(H,15,18)/t7-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide?
(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 164633225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).