5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine

C11H20N4S — CID 65208157

IUPAC5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(c1nnc(C)s1)C1CCCNC1
InChIInChI=1S/C11H20N4S/c1-3-7-15(10-5-4-6-12-8-10)11-14-13-9(2)16-11/h10,12H,3-8H2,1-2H3
InChIKeyLRLXVCDJWCHJHP-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.81
Rot. Bonds4

About 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine

5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208157) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID65208157
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(c1nnc(C)s1)C1CCCNC1
InChIInChI=1S/C11H20N4S/c1-3-7-15(10-5-4-6-12-8-10)11-14-13-9(2)16-11/h10,12H,3-8H2,1-2H3
InChIKeyLRLXVCDJWCHJHP-UHFFFAOYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine (CID 65208157) is 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine is CCCN(c1nnc(C)s1)C1CCCNC1.
What is the InChIKey of 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LRLXVCDJWCHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-7-15(10-5-4-6-12-8-10)11-14-13-9(2)16-11/h10,12H,3-8H2,1-2H3.
What are the key properties of 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine?
5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 240.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-piperidin-3-yl-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).