4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine

C12H24N4S — CID 55046398

IUPAC4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CCC)CCC
InChIInChI=1S/C12H24N4S/c1-4-7-13-12-11(14-15-17-12)10-16(8-5-2)9-6-3/h13H,4-10H2,1-3H3
InChIKeyZWGOKYXURBEIFT-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds9

About 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine

4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046398) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine
PubChem CID55046398
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CCC)CCC
InChIInChI=1S/C12H24N4S/c1-4-7-13-12-11(14-15-17-12)10-16(8-5-2)9-6-3/h13H,4-10H2,1-3H3
InChIKeyZWGOKYXURBEIFT-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine (CID 55046398) is 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CCC)CCC.
What is the InChIKey of 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is ZWGOKYXURBEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-7-13-12-11(14-15-17-12)10-16(8-5-2)9-6-3/h13H,4-10H2,1-3H3.
What are the key properties of 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine?
4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 256.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).