N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 106996290

IUPACN-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCNC(C)C2)n1
InChIInChI=1S/C11H20N4S/c1-3-4-10-14-11(16-15-10)13-9-5-6-12-8(2)7-9/h8-9,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWHMKAMJUPQQHJL-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.04
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 106996290) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID106996290
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCNC(C)C2)n1
InChIInChI=1S/C11H20N4S/c1-3-4-10-14-11(16-15-10)13-9-5-6-12-8(2)7-9/h8-9,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWHMKAMJUPQQHJL-UHFFFAOYSA-N
XLogP2.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 106996290) is N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC2CCNC(C)C2)n1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WHMKAMJUPQQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-4-10-14-11(16-15-10)13-9-5-6-12-8(2)7-9/h8-9,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106996290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).