3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine

C13H25N5S — CID 65271410

IUPAC3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCN1CCN(CCNc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C13H25N5S/c1-13(2,3)11-15-12(19-16-11)14-5-6-18-9-7-17(4)8-10-18/h5-10H2,1-4H3,(H,14,15,16)
InChIKeyLODBRDBQPIRHHB-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.49
Rot. Bonds4

About 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271410) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271410
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCN1CCN(CCNc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C13H25N5S/c1-13(2,3)11-15-12(19-16-11)14-5-6-18-9-7-17(4)8-10-18/h5-10H2,1-4H3,(H,14,15,16)
InChIKeyLODBRDBQPIRHHB-UHFFFAOYSA-N
XLogP1.49
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65271410) is 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine is CN1CCN(CCNc2nc(C(C)(C)C)ns2)CC1.
What is the InChIKey of 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LODBRDBQPIRHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-13(2,3)11-15-12(19-16-11)14-5-6-18-9-7-17(4)8-10-18/h5-10H2,1-4H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 283.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).