3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine

C12H20N4S — CID 71996531

IUPAC3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESC=C(C)CN1CCC(Nc2nc(C)ns2)CC1
InChIInChI=1S/C12H20N4S/c1-9(2)8-16-6-4-11(5-7-16)14-12-13-10(3)15-17-12/h11H,1,4-8H2,2-3H3,(H,13,14,15)
InChIKeyCYTCITIODNWOFN-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 71996531) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID71996531
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESC=C(C)CN1CCC(Nc2nc(C)ns2)CC1
InChIInChI=1S/C12H20N4S/c1-9(2)8-16-6-4-11(5-7-16)14-12-13-10(3)15-17-12/h11H,1,4-8H2,2-3H3,(H,13,14,15)
InChIKeyCYTCITIODNWOFN-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
N-(1-propylpiperidin-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304853
3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 71871134
1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 65274370
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine dihydrochloride
CID 67344281
1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine hydrochloride
CID 89542870
Ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 123668036
6-Methylidene-2-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azabicyclo[2.2.0]hexan-5-amine
CID 156478974
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65267456

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (CID 71996531) is 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is C=C(C)CN1CCC(Nc2nc(C)ns2)CC1.
What is the InChIKey of 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CYTCITIODNWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9(2)8-16-6-4-11(5-7-16)14-12-13-10(3)15-17-12/h11H,1,4-8H2,2-3H3,(H,13,14,15).
What are the key properties of 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71996531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).