ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate

C13H22N4O2S — CID 65270974

IUPACethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-19-13(18)17-7-5-10(6-8-17)14-12-15-11(9(2)3)16-20-12/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyGDJQHWFDIMNPQP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.69
Rot. Bonds4

About ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate

ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 65270974) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID65270974
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Nameethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-19-13(18)17-7-5-10(6-8-17)14-12-15-11(9(2)3)16-20-12/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyGDJQHWFDIMNPQP-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
Ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carboxamido)piperidine-1-carboxylate
CID 71807175
tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 71920272
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
Ethyl 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxylate
CID 107304691
Isobutyl 1-(3-bromo-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 58182722
[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-carbamic acid tert-butyl ester
CID 58398025
Tert-butyl 1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89543407
2-methylpropyl N-(3-bromo-1,2,4-thiadiazol-5-yl)-N-piperidin-4-ylcarbamate
CID 90690164
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
CID 123912494

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 65270974) is ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(C(C)C)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is GDJQHWFDIMNPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-19-13(18)17-7-5-10(6-8-17)14-12-15-11(9(2)3)16-20-12/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65270974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).