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

C12H22N4S — CID 129221153

IUPACN-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nncs1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H22N4S/c1-11(2)6-9(7-12(3,4)15-11)16(5)10-14-13-8-17-10/h8-9,15H,6-7H2,1-5H3
InChIKeyUSFDENHAZWWIHX-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.28
Rot. Bonds2

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

N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 129221153) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID129221153
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nncs1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H22N4S/c1-11(2)6-9(7-12(3,4)15-11)16(5)10-14-13-8-17-10/h8-9,15H,6-7H2,1-5H3
InChIKeyUSFDENHAZWWIHX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 129221153) is N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN(c1nncs1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is USFDENHAZWWIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-11(2)6-9(7-12(3,4)15-11)16(5)10-14-13-8-17-10/h8-9,15H,6-7H2,1-5H3.
What are the key properties of N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 129221153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).