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

C10H22Cl2N4S2 — CID 11971473

IUPAC5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCCN(CC)CCSc1nnc(N(C)C)s1.Cl.Cl
InChIInChI=1S/C10H20N4S2.2ClH/c1-5-14(6-2)7-8-15-10-12-11-9(16-10)13(3)4;;/h5-8H2,1-4H3;2*1H
InChIKeyJOSBVBREZMDPPL-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.88
Rot. Bonds7

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

5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 11971473) has the molecular formula C10H22Cl2N4S2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID11971473
Molecular FormulaC10H22Cl2N4S2
Molecular Weight333.35 g/mol
Exact Mass332.07
IUPAC Name5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCCN(CC)CCSc1nnc(N(C)C)s1.Cl.Cl
InChIInChI=1S/C10H20N4S2.2ClH/c1-5-14(6-2)7-8-15-10-12-11-9(16-10)13(3)4;;/h5-8H2,1-4H3;2*1H
InChIKeyJOSBVBREZMDPPL-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 11971473) is 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride is CCN(CC)CCSc1nnc(N(C)C)s1.Cl.Cl.
What is the InChIKey of 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is JOSBVBREZMDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2.2ClH/c1-5-14(6-2)7-8-15-10-12-11-9(16-10)13(3)4;;/h5-8H2,1-4H3;2*1H.
What are the key properties of 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 333.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 11971473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).