5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide

C17H19F3N4O2S — CID 58267496

IUPAC5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide
SMILESNC(=O)CCCC(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C17H19F3N4O2S/c18-17(19,20)16-10-4-1-2-5-12(10)24(23-16)8-15-22-11(9-27-15)13(25)6-3-7-14(21)26/h9H,1-8H2,(H2,21,26)
InChIKeyGRZKMTAPLOFTKC-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.12
Rot. Bonds7

About 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide

5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide (PubChem CID 58267496) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide.

Molecular Properties

Compound Name5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide
PubChem CID58267496
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC Name5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide
SMILESNC(=O)CCCC(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C17H19F3N4O2S/c18-17(19,20)16-10-4-1-2-5-12(10)24(23-16)8-15-22-11(9-27-15)13(25)6-3-7-14(21)26/h9H,1-8H2,(H2,21,26)
InChIKeyGRZKMTAPLOFTKC-UHFFFAOYSA-N
XLogP3.12
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide?
The IUPAC name of 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide (CID 58267496) is 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide.
What is the SMILES notation for 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide?
The canonical SMILES for 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide is NC(=O)CCCC(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1.
What is the InChIKey of 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide?
The InChIKey is GRZKMTAPLOFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c18-17(19,20)16-10-4-1-2-5-12(10)24(23-16)8-15-22-11(9-27-15)13(25)6-3-7-14(21)26/h9H,1-8H2,(H2,21,26).
What are the key properties of 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide?
5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide has a molecular weight of 400.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazol-4-yl]pentanamide is sourced from PubChem (CID 58267496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).