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

C9H16N4S2 — CID 63736804

IUPAC5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNC2CC2)s1
InChIInChI=1S/C9H16N4S2/c1-13(2)8-11-12-9(15-8)14-6-5-10-7-3-4-7/h7,10H,3-6H2,1-2H3
InChIKeyGFIDYBCNAIWTAU-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.45
Rot. Bonds6

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

5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736804) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736804
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNC2CC2)s1
InChIInChI=1S/C9H16N4S2/c1-13(2)8-11-12-9(15-8)14-6-5-10-7-3-4-7/h7,10H,3-6H2,1-2H3
InChIKeyGFIDYBCNAIWTAU-UHFFFAOYSA-N
XLogP1.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.45
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-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736804) is 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCNC2CC2)s1.
What is the InChIKey of 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GFIDYBCNAIWTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-13(2)8-11-12-9(15-8)14-6-5-10-7-3-4-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 244.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).