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

C11H14F3N3OS — CID 63709341

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2(C(F)(F)F)CCNC2)sc1C
InChIInChI=1S/C11H14F3N3OS/c1-6-7(2)19-9(16-6)17-8(18)10(11(12,13)14)3-4-15-5-10/h15H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyRHDWPIQHHQFIRJ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.24
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709341) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709341
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2(C(F)(F)F)CCNC2)sc1C
InChIInChI=1S/C11H14F3N3OS/c1-6-7(2)19-9(16-6)17-8(18)10(11(12,13)14)3-4-15-5-10/h15H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyRHDWPIQHHQFIRJ-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709341) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2(C(F)(F)F)CCNC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RHDWPIQHHQFIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-6-7(2)19-9(16-6)17-8(18)10(11(12,13)14)3-4-15-5-10/h15H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).