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

C7H14N4S2 — CID 6486657

IUPAC5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)CCCSc1nnc(N)s1
InChIInChI=1S/C7H14N4S2/c1-11(2)4-3-5-12-7-10-9-6(8)13-7/h3-5H2,1-2H3,(H2,8,9)
InChIKeyRROQWVYFDYMUJL-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.16
Rot. Bonds5

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

5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 6486657) has the molecular formula C7H14N4S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID6486657
Molecular FormulaC7H14N4S2
Molecular Weight218.35 g/mol
Exact Mass218.07
IUPAC Name5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)CCCSc1nnc(N)s1
InChIInChI=1S/C7H14N4S2/c1-11(2)4-3-5-12-7-10-9-6(8)13-7/h3-5H2,1-2H3,(H2,8,9)
InChIKeyRROQWVYFDYMUJL-UHFFFAOYSA-N
XLogP1.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.16
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-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 6486657) is 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine is CN(C)CCCSc1nnc(N)s1.
What is the InChIKey of 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RROQWVYFDYMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S2/c1-11(2)4-3-5-12-7-10-9-6(8)13-7/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 218.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6486657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).