5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine

C6H13N5S — CID 66279862

IUPAC5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN(C)CCNc1nc(N)ns1
InChIInChI=1S/C6H13N5S/c1-11(2)4-3-8-6-9-5(7)10-12-6/h3-4H2,1-2H3,(H3,7,8,9,10)
InChIKeyRUUYHJWBZRNAII-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.09
Rot. Bonds4

About 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279862) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279862
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC Name5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN(C)CCNc1nc(N)ns1
InChIInChI=1S/C6H13N5S/c1-11(2)4-3-8-6-9-5(7)10-12-6/h3-4H2,1-2H3,(H3,7,8,9,10)
InChIKeyRUUYHJWBZRNAII-UHFFFAOYSA-N
XLogP0.09
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine (CID 66279862) is 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine is CN(C)CCNc1nc(N)ns1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is RUUYHJWBZRNAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-11(2)4-3-8-6-9-5(7)10-12-6/h3-4H2,1-2H3,(H3,7,8,9,10).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 187.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).