2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol

C14H24N4OS — CID 126794865

IUPAC2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol
SMILESCC=CCC(CO)NC1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-4-5-13(10-19)15-12-6-8-18(9-7-12)14-17-16-11(2)20-14/h3-4,12-13,15,19H,5-10H2,1-2H3
InChIKeyZYJNVOXOUARWRI-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.73
Rot. Bonds6

About 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol

2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol (PubChem CID 126794865) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol.

Molecular Properties

Compound Name2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol
PubChem CID126794865
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol
SMILESCC=CCC(CO)NC1CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-4-5-13(10-19)15-12-6-8-18(9-7-12)14-17-16-11(2)20-14/h3-4,12-13,15,19H,5-10H2,1-2H3
InChIKeyZYJNVOXOUARWRI-UHFFFAOYSA-N
XLogP1.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol with MolForge

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Related Compounds

2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 154736491
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 80679860
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 108780898
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 131897606
N,N-diethyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 75519593
3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729598
(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
CID 124886104
2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133331896
ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
CID 133394837

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol?
The IUPAC name of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol (CID 126794865) is 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol.
What is the SMILES notation for 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol?
The canonical SMILES for 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol is CC=CCC(CO)NC1CCN(c2nnc(C)s2)CC1.
What is the InChIKey of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol?
The InChIKey is ZYJNVOXOUARWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-4-5-13(10-19)15-12-6-8-18(9-7-12)14-17-16-11(2)20-14/h3-4,12-13,15,19H,5-10H2,1-2H3.
What are the key properties of 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol?
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol has a molecular weight of 296.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol is sourced from PubChem (CID 126794865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).