5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C12H24N4S2 — CID 39101700

IUPAC5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCN(CCCC)CCSc1nnc(N)s1
InChIInChI=1S/C12H24N4S2/c1-3-5-7-16(8-6-4-2)9-10-17-12-15-14-11(13)18-12/h3-10H2,1-2H3,(H2,13,14)
InChIKeyWEWSLIBJWSMADH-UHFFFAOYSA-N
MW288.49 g/mol
LogP3.11
Rot. Bonds10

About 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 39101700) has the molecular formula C12H24N4S2 and a molecular weight of 288.49 g/mol. Its IUPAC name is 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID39101700
Molecular FormulaC12H24N4S2
Molecular Weight288.49 g/mol
Exact Mass288.14
IUPAC Name5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCN(CCCC)CCSc1nnc(N)s1
InChIInChI=1S/C12H24N4S2/c1-3-5-7-16(8-6-4-2)9-10-17-12-15-14-11(13)18-12/h3-10H2,1-2H3,(H2,13,14)
InChIKeyWEWSLIBJWSMADH-UHFFFAOYSA-N
XLogP3.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 39101700) is 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCCN(CCCC)CCSc1nnc(N)s1.
What is the InChIKey of 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WEWSLIBJWSMADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S2/c1-3-5-7-16(8-6-4-2)9-10-17-12-15-14-11(13)18-12/h3-10H2,1-2H3,(H2,13,14).
What are the key properties of 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.49 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 39101700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).