5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

C10H16N4S — CID 107489146

IUPAC5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2=CCNCC2)s1
InChIInChI=1S/C10H16N4S/c1-8-13-14-10(15-8)12-7-4-9-2-5-11-6-3-9/h2,11H,3-7H2,1H3,(H,12,14)
InChIKeyBBFMNYJKKQVSMK-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.57
Rot. Bonds4

About 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107489146) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107489146
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2=CCNCC2)s1
InChIInChI=1S/C10H16N4S/c1-8-13-14-10(15-8)12-7-4-9-2-5-11-6-3-9/h2,11H,3-7H2,1H3,(H,12,14)
InChIKeyBBFMNYJKKQVSMK-UHFFFAOYSA-N
XLogP1.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
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 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107489146) is 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2=CCNCC2)s1.
What is the InChIKey of 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BBFMNYJKKQVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8-13-14-10(15-8)12-7-4-9-2-5-11-6-3-9/h2,11H,3-7H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 224.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107489146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).