12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene

C14H18N2S — CID 67270836

IUPAC12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene
SMILESCCN1CCc2nc3ccsc3c(C)c2CC1
InChIInChI=1S/C14H18N2S/c1-3-16-7-4-11-10(2)14-13(6-9-17-14)15-12(11)5-8-16/h6,9H,3-5,7-8H2,1-2H3
InChIKeyQBJGWEKCNGLGKM-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.03
Rot. Bonds1

About 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene

12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene (PubChem CID 67270836) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene.

Molecular Properties

Compound Name12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene
PubChem CID67270836
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene
SMILESCCN1CCc2nc3ccsc3c(C)c2CC1
InChIInChI=1S/C14H18N2S/c1-3-16-7-4-11-10(2)14-13(6-9-17-14)15-12(11)5-8-16/h6,9H,3-5,7-8H2,1-2H3
InChIKeyQBJGWEKCNGLGKM-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8-tetraen-8-amine
CID 66354554
8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
CID 10846537
2-[(3-methyl-4-oxopiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136997126
6-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8-tetraen-8-ylhydrazine
CID 66354556
2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135496263
1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone
CID 82451050
(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450935
2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
CID 158645776
2-ethyl-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450420
4-(4-ethylpiperazin-1-yl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidine
CID 164613382
N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[2-[4-[3-(4-methylpiperazin-1-yl)propyliminomethyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methanimine
CID 164530336
2-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136924583

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene?
The IUPAC name of 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene (CID 67270836) is 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene.
What is the SMILES notation for 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene?
The canonical SMILES for 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene is CCN1CCc2nc3ccsc3c(C)c2CC1.
What is the InChIKey of 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene?
The InChIKey is QBJGWEKCNGLGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-16-7-4-11-10(2)14-13(6-9-17-14)15-12(11)5-8-16/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene?
12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene has a molecular weight of 246.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene is sourced from PubChem (CID 67270836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).