5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H20N4S2 — CID 63736646

IUPAC5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNCCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4S2/c1-4-11-7-5-6-8-15-10-13-12-9(16-10)14(2)3/h11H,4-8H2,1-3H3
InChIKeyAOEBKEBRYVVJTE-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.09
Rot. Bonds8

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

5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736646) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736646
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC Name5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNCCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4S2/c1-4-11-7-5-6-8-15-10-13-12-9(16-10)14(2)3/h11H,4-8H2,1-3H3
InChIKeyAOEBKEBRYVVJTE-UHFFFAOYSA-N
XLogP2.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.09
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-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736646) is 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCNCCCCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AOEBKEBRYVVJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-4-11-7-5-6-8-15-10-13-12-9(16-10)14(2)3/h11H,4-8H2,1-3H3.
What are the key properties of 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 260.43 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).