3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

C11H18N4S — CID 71871134

IUPAC3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESC=CCN1CCC(Nc2nc(C)ns2)CC1
InChIInChI=1S/C11H18N4S/c1-3-6-15-7-4-10(5-8-15)13-11-12-9(2)14-16-11/h3,10H,1,4-8H2,2H3,(H,12,13,14)
InChIKeyGVTHGMJPAKOJNN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.91
Rot. Bonds4

About 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 71871134) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID71871134
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESC=CCN1CCC(Nc2nc(C)ns2)CC1
InChIInChI=1S/C11H18N4S/c1-3-6-15-7-4-10(5-8-15)13-11-12-9(2)14-16-11/h3,10H,1,4-8H2,2H3,(H,12,13,14)
InChIKeyGVTHGMJPAKOJNN-UHFFFAOYSA-N
XLogP1.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (CID 71871134) is 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is C=CCN1CCC(Nc2nc(C)ns2)CC1.
What is the InChIKey of 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GVTHGMJPAKOJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-6-15-7-4-10(5-8-15)13-11-12-9(2)14-16-11/h3,10H,1,4-8H2,2H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 238.36 g/mol, XLogP of 1.91, 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-prop-2-enylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71871134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).