4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C10H12N2S — CID 84739665

IUPAC4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESc1cc2c3c(c1)SCCN3CCN2
InChIInChI=1S/C10H12N2S/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,11H,4-7H2
InChIKeyRCZSPLJCVOKFJH-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.02
Rot. Bonds

About 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 84739665) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID84739665
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESc1cc2c3c(c1)SCCN3CCN2
InChIInChI=1S/C10H12N2S/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,11H,4-7H2
InChIKeyRCZSPLJCVOKFJH-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene
CID 96620806
2-oxo-2-(4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-yl)acetic acid
CID 140971697
4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2-carbonyl cyanide
CID 140971701
(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674655
(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674668
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
2-methylidene-5,6-dihydro-4H-1,3,6-benzodithiazocine
CID 89138477
2-(5-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84628824
5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
CID 115094968
2,2-dimethyl-1,4,10-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one
CID 82393417
2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84621697
1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82401372

Frequently Asked Questions

What is the IUPAC name of 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 84739665) is 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is c1cc2c3c(c1)SCCN3CCN2.
What is the InChIKey of 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is RCZSPLJCVOKFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,11H,4-7H2.
What are the key properties of 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 192.29 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 84739665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).