5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine

C9H18N4S2 — CID 67595890

IUPAC5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(Sc1nnc(N)s1)N(CC)CC
InChIInChI=1S/C9H18N4S2/c1-4-7(13(5-2)6-3)14-9-12-11-8(10)15-9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyXUAAHBQUMXNOKN-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.29
Rot. Bonds6

About 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 67595890) has the molecular formula C9H18N4S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID67595890
Molecular FormulaC9H18N4S2
Molecular Weight246.40 g/mol
Exact Mass246.10
IUPAC Name5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(Sc1nnc(N)s1)N(CC)CC
InChIInChI=1S/C9H18N4S2/c1-4-7(13(5-2)6-3)14-9-12-11-8(10)15-9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyXUAAHBQUMXNOKN-UHFFFAOYSA-N
XLogP2.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 67595890) is 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine is CCC(Sc1nnc(N)s1)N(CC)CC.
What is the InChIKey of 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XUAAHBQUMXNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-4-7(13(5-2)6-3)14-9-12-11-8(10)15-9/h7H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(diethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67595890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).