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

C12H22N4S — CID 141405888

IUPAC5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C12H22N4S/c1-8-14-15-10(17-8)13-9-6-11(2,3)16-12(4,5)7-9/h9,16H,6-7H2,1-5H3,(H,13,15)
InChIKeyBKLYMRCNHUBWTD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.57
Rot. Bonds2

About 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 141405888) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID141405888
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C12H22N4S/c1-8-14-15-10(17-8)13-9-6-11(2,3)16-12(4,5)7-9/h9,16H,6-7H2,1-5H3,(H,13,15)
InChIKeyBKLYMRCNHUBWTD-UHFFFAOYSA-N
XLogP2.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 141405888) is 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CC(C)(C)NC(C)(C)C2)s1.
What is the InChIKey of 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BKLYMRCNHUBWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-8-14-15-10(17-8)13-9-6-11(2,3)16-12(4,5)7-9/h9,16H,6-7H2,1-5H3,(H,13,15).
What are the key properties of 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-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 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 141405888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).