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

C7H11N3O2S — CID 65271012

IUPACN-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2COCCO2)n1
InChIInChI=1S/C7H11N3O2S/c1-2-12-6(4-11-1)3-8-7-9-5-10-13-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyBYOBFKPJNICWFW-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.37
Rot. Bonds3

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

N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271012) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271012
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2COCCO2)n1
InChIInChI=1S/C7H11N3O2S/c1-2-12-6(4-11-1)3-8-7-9-5-10-13-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyBYOBFKPJNICWFW-UHFFFAOYSA-N
XLogP0.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65271012) is N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2COCCO2)n1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BYOBFKPJNICWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-2-12-6(4-11-1)3-8-7-9-5-10-13-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 201.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).