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

C11H20N4OS2 — CID 55242021

IUPACN,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNCC2CCOC2)s1
InChIInChI=1S/C11H20N4OS2/c1-15(2)10-13-14-11(18-10)17-6-4-12-7-9-3-5-16-8-9/h9,12H,3-8H2,1-2H3
InChIKeyIJAVRWLQQNUSPY-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.32
Rot. Bonds7

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

N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 55242021) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID55242021
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC NameN,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNCC2CCOC2)s1
InChIInChI=1S/C11H20N4OS2/c1-15(2)10-13-14-11(18-10)17-6-4-12-7-9-3-5-16-8-9/h9,12H,3-8H2,1-2H3
InChIKeyIJAVRWLQQNUSPY-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 55242021) is N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCNCC2CCOC2)s1.
What is the InChIKey of N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IJAVRWLQQNUSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-15(2)10-13-14-11(18-10)17-6-4-12-7-9-3-5-16-8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55242021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).