5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H17N3O2S2 — CID 66473765

IUPAC5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCC2OCCCO2)s1
InChIInChI=1S/C10H17N3O2S2/c1-13(2)9-11-12-10(17-9)16-7-4-8-14-5-3-6-15-8/h8H,3-7H2,1-2H3
InChIKeyVCUVQDMWLYRVQJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.85
Rot. Bonds5

About 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 66473765) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID66473765
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCC2OCCCO2)s1
InChIInChI=1S/C10H17N3O2S2/c1-13(2)9-11-12-10(17-9)16-7-4-8-14-5-3-6-15-8/h8H,3-7H2,1-2H3
InChIKeyVCUVQDMWLYRVQJ-UHFFFAOYSA-N
XLogP1.85
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 66473765) is 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCC2OCCCO2)s1.
What is the InChIKey of 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VCUVQDMWLYRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-13(2)9-11-12-10(17-9)16-7-4-8-14-5-3-6-15-8/h8H,3-7H2,1-2H3.
What are the key properties of 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 66473765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).