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

C9H14N4S — CID 18999095

IUPAC3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3CC2CN3C)n1
InChIInChI=1S/C9H14N4S/c1-6-10-9(14-11-6)13-5-7-3-8(13)4-12(7)2/h7-8H,3-5H2,1-2H3
InChIKeyGRWDXLDZOVGRLW-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.74
Rot. Bonds1

About 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole

3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole (PubChem CID 18999095) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
PubChem CID18999095
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3CC2CN3C)n1
InChIInChI=1S/C9H14N4S/c1-6-10-9(14-11-6)13-5-7-3-8(13)4-12(7)2/h7-8H,3-5H2,1-2H3
InChIKeyGRWDXLDZOVGRLW-UHFFFAOYSA-N
XLogP0.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 18999097
3-methyl-5-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]-1,2,4-thiadiazole
CID 99811991
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 15813435
5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 15813436
5-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 18999113
(S,S)-2-Methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 57036075
5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 57205779
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
5-[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 67783429
5-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 67783458
3-methyl-5-[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 67783639
5-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 67783853

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole (CID 18999095) is 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole is Cc1nsc(N2CC3CC2CN3C)n1.
What is the InChIKey of 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
The InChIKey is GRWDXLDZOVGRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-6-10-9(14-11-6)13-5-7-3-8(13)4-12(7)2/h7-8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole?
3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole has a molecular weight of 210.31 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 18999095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).