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

C13H22N4S2 — CID 55241252

IUPAC5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNC(C2CC2)C2CC2)s1
InChIInChI=1S/C13H22N4S2/c1-17(2)12-15-16-13(19-12)18-8-7-14-11(9-3-4-9)10-5-6-10/h9-11,14H,3-8H2,1-2H3
InChIKeyGZZYFCNHJCVQMM-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.47
Rot. Bonds8

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

5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55241252) has the molecular formula C13H22N4S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55241252
Molecular FormulaC13H22N4S2
Molecular Weight298.48 g/mol
Exact Mass298.13
IUPAC Name5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNC(C2CC2)C2CC2)s1
InChIInChI=1S/C13H22N4S2/c1-17(2)12-15-16-13(19-12)18-8-7-14-11(9-3-4-9)10-5-6-10/h9-11,14H,3-8H2,1-2H3
InChIKeyGZZYFCNHJCVQMM-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55241252) is 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCNC(C2CC2)C2CC2)s1.
What is the InChIKey of 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GZZYFCNHJCVQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S2/c1-17(2)12-15-16-13(19-12)18-8-7-14-11(9-3-4-9)10-5-6-10/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 298.48 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dicyclopropylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55241252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).