1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

C12H17F3N4OS — CID 133429708

IUPAC1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1nsc(NCC2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N4OS/c1-2-9-17-11(21-18-9)16-7-8-3-5-19(6-4-8)10(20)12(13,14)15/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyJPGIODGBXVNBFV-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 133429708) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID133429708
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1nsc(NCC2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N4OS/c1-2-9-17-11(21-18-9)16-7-8-3-5-19(6-4-8)10(20)12(13,14)15/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyJPGIODGBXVNBFV-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
Cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
CID 84585889
N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
CID 174154467
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304809
N-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304869
1-Piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
CID 107305102
1-Piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305110

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 133429708) is 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is CCc1nsc(NCC2CCN(C(=O)C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is JPGIODGBXVNBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-2-9-17-11(21-18-9)16-7-8-3-5-19(6-4-8)10(20)12(13,14)15/h8H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 322.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 133429708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).