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

C12H22N4S — CID 133383350

IUPAC5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(Nc2nnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C12H22N4S/c1-12(2,3)10-14-15-11(17-10)13-9-5-7-16(4)8-6-9/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyGTGMMYWOFYJTOL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.34
Rot. Bonds2

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

5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133383350) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133383350
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(Nc2nnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C12H22N4S/c1-12(2,3)10-14-15-11(17-10)13-9-5-7-16(4)8-6-9/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyGTGMMYWOFYJTOL-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 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 133383350) is 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN1CCC(Nc2nnc(C(C)(C)C)s2)CC1.
What is the InChIKey of 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GTGMMYWOFYJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-12(2,3)10-14-15-11(17-10)13-9-5-7-16(4)8-6-9/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-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 5-tert-butyl-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).