5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H20N4OS2 — CID 63737140

IUPAC5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOC(CN)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-4-15-8(7-11)5-6-16-10-13-12-9(17-10)14(2)3/h8H,4-7,11H2,1-3H3
InChIKeyQQQNJMWJIVKGTF-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.45
Rot. Bonds8

About 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737140) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737140
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOC(CN)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-4-15-8(7-11)5-6-16-10-13-12-9(17-10)14(2)3/h8H,4-7,11H2,1-3H3
InChIKeyQQQNJMWJIVKGTF-UHFFFAOYSA-N
XLogP1.45
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737140) is 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCOC(CN)CCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QQQNJMWJIVKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-4-15-8(7-11)5-6-16-10-13-12-9(17-10)14(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).