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

C13H16F3N3O2S — CID 87025059

IUPAC1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H16F3N3O2S/c1-2-4-10(20)19-6-3-5-8(19)11(21)18-12-17-9(7-22-12)13(14,15)16/h7-8H,2-6H2,1H3,(H,17,18,21)
InChIKeyUIVZRXLKAAVUNF-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.89
Rot. Bonds4

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

1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 87025059) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID87025059
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC Name1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H16F3N3O2S/c1-2-4-10(20)19-6-3-5-8(19)11(21)18-12-17-9(7-22-12)13(14,15)16/h7-8H,2-6H2,1H3,(H,17,18,21)
InChIKeyUIVZRXLKAAVUNF-UHFFFAOYSA-N
XLogP2.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 87025059) is 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UIVZRXLKAAVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-2-4-10(20)19-6-3-5-8(19)11(21)18-12-17-9(7-22-12)13(14,15)16/h7-8H,2-6H2,1H3,(H,17,18,21).
What are the key properties of 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 87025059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).