5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene

C9H10N2S — CID 115403241

IUPAC5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene
SMILESCC1CCc2c1nc1sccn21
InChIInChI=1S/C9H10N2S/c1-6-2-3-7-8(6)10-9-11(7)4-5-12-9/h4-6H,2-3H2,1H3
InChIKeyYACMHGCQTVIOQC-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.45
Rot. Bonds

About 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene

5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene (PubChem CID 115403241) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene.

Molecular Properties

Compound Name5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene
PubChem CID115403241
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene
SMILESCC1CCc2c1nc1sccn21
InChIInChI=1S/C9H10N2S/c1-6-2-3-7-8(6)10-9-11(7)4-5-12-9/h4-6H,2-3H2,1H3
InChIKeyYACMHGCQTVIOQC-UHFFFAOYSA-N
XLogP2.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129401968
1-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63785740
5-(2,4-dimethylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene?
The IUPAC name of 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene (CID 115403241) is 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene.
What is the SMILES notation for 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene?
The canonical SMILES for 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene is CC1CCc2c1nc1sccn21.
What is the InChIKey of 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene?
The InChIKey is YACMHGCQTVIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-2-3-7-8(6)10-9-11(7)4-5-12-9/h4-6H,2-3H2,1H3.
What are the key properties of 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene?
5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene has a molecular weight of 178.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene is sourced from PubChem (CID 115403241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).