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

C11H21N5S — CID 63633354

IUPAC4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C)C(C)C1
InChIInChI=1S/C11H21N5S/c1-4-12-11-10(13-14-17-11)8-16-6-5-15(3)9(2)7-16/h9,12H,4-8H2,1-3H3
InChIKeyXBBXXVGRVAWBHR-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.11
Rot. Bonds4

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

4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (PubChem CID 63633354) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
PubChem CID63633354
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C)C(C)C1
InChIInChI=1S/C11H21N5S/c1-4-12-11-10(13-14-17-11)8-16-6-5-15(3)9(2)7-16/h9,12H,4-8H2,1-3H3
InChIKeyXBBXXVGRVAWBHR-UHFFFAOYSA-N
XLogP1.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.11
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-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (CID 63633354) is 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN1CCN(C)C(C)C1.
What is the InChIKey of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is XBBXXVGRVAWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-4-12-11-10(13-14-17-11)8-16-6-5-15(3)9(2)7-16/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 1.11, 4 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-ethylthiadiazol-5-amine is sourced from PubChem (CID 63633354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).