N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 175991493

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1C(C)(C)CC(Nc2nncs2)CC1(C)C
InChIInChI=1S/C12H22N4S/c1-11(2)6-9(7-12(3,4)16(11)5)14-10-15-13-8-17-10/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyFSPMOYGETRSVQV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.60
Rot. Bonds2

About N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 175991493) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID175991493
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN1C(C)(C)CC(Nc2nncs2)CC1(C)C
InChIInChI=1S/C12H22N4S/c1-11(2)6-9(7-12(3,4)16(11)5)14-10-15-13-8-17-10/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyFSPMOYGETRSVQV-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 175991493) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN1C(C)(C)CC(Nc2nncs2)CC1(C)C.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FSPMOYGETRSVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-11(2)6-9(7-12(3,4)16(11)5)14-10-15-13-8-17-10/h8-9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 175991493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).