4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine

C10H10N2S — CID 155292848

IUPAC4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine
SMILESNc1csc2nc3c(cc12)CCC3
InChIInChI=1S/C10H10N2S/c11-8-5-13-10-7(8)4-6-2-1-3-9(6)12-10/h4-5H,1-3,11H2
InChIKeyUZDZSPNIVJIKOF-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.37
Rot. Bonds

About 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine

4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine (PubChem CID 155292848) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine.

Molecular Properties

Compound Name4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine
PubChem CID155292848
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine
SMILESNc1csc2nc3c(cc12)CCC3
InChIInChI=1S/C10H10N2S/c11-8-5-13-10-7(8)4-6-2-1-3-9(6)12-10/h4-5H,1-3,11H2
InChIKeyUZDZSPNIVJIKOF-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine?
The IUPAC name of 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine (CID 155292848) is 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine.
What is the SMILES notation for 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine?
The canonical SMILES for 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine is Nc1csc2nc3c(cc12)CCC3.
What is the InChIKey of 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine?
The InChIKey is UZDZSPNIVJIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-8-5-13-10-7(8)4-6-2-1-3-9(6)12-10/h4-5H,1-3,11H2.
What are the key properties of 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine?
4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine has a molecular weight of 190.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-6-amine is sourced from PubChem (CID 155292848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).