4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine

C12H23N5S — CID 55217758

IUPAC4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(C)C(C)C1
InChIInChI=1S/C12H23N5S/c1-4-5-13-12-11(14-15-18-12)9-17-7-6-16(3)10(2)8-17/h10,13H,4-9H2,1-3H3
InChIKeyBGOJOWCYNKAPTB-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.50
Rot. Bonds5

About 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine

4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55217758) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID55217758
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(C)C(C)C1
InChIInChI=1S/C12H23N5S/c1-4-5-13-12-11(14-15-18-12)9-17-7-6-16(3)10(2)8-17/h10,13H,4-9H2,1-3H3
InChIKeyBGOJOWCYNKAPTB-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine (CID 55217758) is 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CCN(C)C(C)C1.
What is the InChIKey of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is BGOJOWCYNKAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-4-5-13-12-11(14-15-18-12)9-17-7-6-16(3)10(2)8-17/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 269.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55217758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).