4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine

C13H25N5S — CID 55116432

IUPAC4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C(C)CC)CC1
InChIInChI=1S/C13H25N5S/c1-4-11(3)18-8-6-17(7-9-18)10-12-13(14-5-2)19-16-15-12/h11,14H,4-10H2,1-3H3
InChIKeyUMTMWSGNUVYPOV-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.89
Rot. Bonds6

About 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine

4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (PubChem CID 55116432) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
PubChem CID55116432
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C(C)CC)CC1
InChIInChI=1S/C13H25N5S/c1-4-11(3)18-8-6-17(7-9-18)10-12-13(14-5-2)19-16-15-12/h11,14H,4-10H2,1-3H3
InChIKeyUMTMWSGNUVYPOV-UHFFFAOYSA-N
XLogP1.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (CID 55116432) is 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN1CCN(C(C)CC)CC1.
What is the InChIKey of 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is UMTMWSGNUVYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-4-11(3)18-8-6-17(7-9-18)10-12-13(14-5-2)19-16-15-12/h11,14H,4-10H2,1-3H3.
What are the key properties of 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 283.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 55116432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).