5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine

C9H19N5S — CID 66280981

IUPAC5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)CC(C)Nc1nc(N)ns1
InChIInChI=1S/C9H19N5S/c1-4-14(5-2)6-7(3)11-9-12-8(10)13-15-9/h7H,4-6H2,1-3H3,(H3,10,11,12,13)
InChIKeyVNOPAQBJHMRUBU-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.26
Rot. Bonds6

About 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine

5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280981) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280981
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC Name5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)CC(C)Nc1nc(N)ns1
InChIInChI=1S/C9H19N5S/c1-4-14(5-2)6-7(3)11-9-12-8(10)13-15-9/h7H,4-6H2,1-3H3,(H3,10,11,12,13)
InChIKeyVNOPAQBJHMRUBU-UHFFFAOYSA-N
XLogP1.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine (CID 66280981) is 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine is CCN(CC)CC(C)Nc1nc(N)ns1.
What is the InChIKey of 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is VNOPAQBJHMRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-4-14(5-2)6-7(3)11-9-12-8(10)13-15-9/h7H,4-6H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 229.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).