3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 65271786

IUPAC3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(Nc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C12H22N4S/c1-12(2,3)10-14-11(17-15-10)13-9-5-7-16(4)8-6-9/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyHPFQHFLQUDAUOM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.34
Rot. Bonds2

About 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271786) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65271786
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(Nc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C12H22N4S/c1-12(2,3)10-14-11(17-15-10)13-9-5-7-16(4)8-6-9/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyHPFQHFLQUDAUOM-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (CID 65271786) is 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is CN1CCC(Nc2nc(C(C)(C)C)ns2)CC1.
What is the InChIKey of 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HPFQHFLQUDAUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-12(2,3)10-14-11(17-15-10)13-9-5-7-16(4)8-6-9/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).