5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole

C8H12N4S — CID 18999113

IUPAC5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
SMILESCN1CC2CC1CN2c1ncns1
InChIInChI=1S/C8H12N4S/c1-11-3-7-2-6(11)4-12(7)8-9-5-10-13-8/h5-7H,2-4H2,1H3
InChIKeyXFOOXKCQMWXJLZ-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.43
Rot. Bonds1

About 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole

5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole (PubChem CID 18999113) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
PubChem CID18999113
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
SMILESCN1CC2CC1CN2c1ncns1
InChIInChI=1S/C8H12N4S/c1-11-3-7-2-6(11)4-12(7)8-9-5-10-13-8/h5-7H,2-4H2,1H3
InChIKeyXFOOXKCQMWXJLZ-UHFFFAOYSA-N
XLogP0.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 16639637
5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 89385947
(1S,4S)-2-methyl-5-(2-methyl-4-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 126578132
(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 130742356
(1S,4S)-2-(4-iodophenyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 170043061
8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65275934
2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-amine
CID 146155963
2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline
CID 69211650
5-(2,2,3,3-tetramethylazetidin-1-yl)-1,2,4-thiadiazole
CID 130627673
3-methyl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776447
5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
CID 66196214
1-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethanone
CID 84793811

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole (CID 18999113) is 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole is CN1CC2CC1CN2c1ncns1.
What is the InChIKey of 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
The InChIKey is XFOOXKCQMWXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-11-3-7-2-6(11)4-12(7)8-9-5-10-13-8/h5-7H,2-4H2,1H3.
What are the key properties of 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole has a molecular weight of 196.28 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 18999113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).