3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C10H15N3O2S — CID 65271014

IUPAC3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESC1COC(CNc2nc(C3CC3)ns2)CO1
InChIInChI=1S/C10H15N3O2S/c1-2-7(1)9-12-10(16-13-9)11-5-8-6-14-3-4-15-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyMANCJZVTFRFKPH-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.24
Rot. Bonds4

About 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271014) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271014
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESC1COC(CNc2nc(C3CC3)ns2)CO1
InChIInChI=1S/C10H15N3O2S/c1-2-7(1)9-12-10(16-13-9)11-5-8-6-14-3-4-15-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyMANCJZVTFRFKPH-UHFFFAOYSA-N
XLogP1.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65271014) is 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is C1COC(CNc2nc(C3CC3)ns2)CO1.
What is the InChIKey of 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MANCJZVTFRFKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-7(1)9-12-10(16-13-9)11-5-8-6-14-3-4-15-8/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).