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

C10H20N4S — CID 62182861

IUPAC4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine
SMILESCCCN(CCC)Cc1nnsc1NC
InChIInChI=1S/C10H20N4S/c1-4-6-14(7-5-2)8-9-10(11-3)15-13-12-9/h11H,4-8H2,1-3H3
InChIKeyKAGFAHJKODFQST-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.20
Rot. Bonds7

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

4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62182861) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine
PubChem CID62182861
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine
SMILESCCCN(CCC)Cc1nnsc1NC
InChIInChI=1S/C10H20N4S/c1-4-6-14(7-5-2)8-9-10(11-3)15-13-12-9/h11H,4-8H2,1-3H3
InChIKeyKAGFAHJKODFQST-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.20
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-methylthiadiazol-5-amine?
The IUPAC name of 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine (CID 62182861) is 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine is CCCN(CCC)Cc1nnsc1NC.
What is the InChIKey of 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is KAGFAHJKODFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-4-6-14(7-5-2)8-9-10(11-3)15-13-12-9/h11H,4-8H2,1-3H3.
What are the key properties of 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine?
4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 228.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62182861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).