3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C13H19F3N4OS — CID 133495005

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(C)(C)c1nsc(NC2CCCN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C13H19F3N4OS/c1-12(2,3)10-18-11(22-19-10)17-8-5-4-6-20(9(8)21)7-13(14,15)16/h8H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyRMPGAEHRRADNIX-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.80
Rot. Bonds3

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 133495005) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID133495005
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(C)(C)c1nsc(NC2CCCN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C13H19F3N4OS/c1-12(2,3)10-18-11(22-19-10)17-8-5-4-6-20(9(8)21)7-13(14,15)16/h8H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyRMPGAEHRRADNIX-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one with MolForge

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Related Compounds

1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 128850107
2,2,2-Trifluoro-1-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 86800859
2,2,2-trifluoro-1-[(2S)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 99787161
2,2,2-trifluoro-1-[(2R)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 99787162
2-[4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
CID 107304765
N-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304835
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304893

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 133495005) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is CC(C)(C)c1nsc(NC2CCCN(CC(F)(F)F)C2=O)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is RMPGAEHRRADNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c1-12(2,3)10-18-11(22-19-10)17-8-5-4-6-20(9(8)21)7-13(14,15)16/h8H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 336.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 133495005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).