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

C12H21BrN4S — CID 86727129

IUPAC5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(Br)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H21BrN4S/c1-11(2)6-8(7-12(3,4)16-11)17(5)10-15-14-9(13)18-10/h8,16H,6-7H2,1-5H3
InChIKeySRSFRMQTSQMOQR-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.05
Rot. Bonds2

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

5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 86727129) has the molecular formula C12H21BrN4S and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID86727129
Molecular FormulaC12H21BrN4S
Molecular Weight333.30 g/mol
Exact Mass332.07
IUPAC Name5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(Br)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H21BrN4S/c1-11(2)6-8(7-12(3,4)16-11)17(5)10-15-14-9(13)18-10/h8,16H,6-7H2,1-5H3
InChIKeySRSFRMQTSQMOQR-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 86727129) is 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(Br)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SRSFRMQTSQMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4S/c1-11(2)6-8(7-12(3,4)16-11)17(5)10-15-14-9(13)18-10/h8,16H,6-7H2,1-5H3.
What are the key properties of 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 333.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86727129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).