ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

C12H16N2OS — CID 144752499

IUPACethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
SMILESCC.Cc1ncnc2sc3c(c12)CCCO3
InChIInChI=1S/C10H10N2OS.C2H6/c1-6-8-7-3-2-4-13-10(7)14-9(8)12-5-11-6;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyBPCPYQQLFUWSPF-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.35
Rot. Bonds

About ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene (PubChem CID 144752499) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Nameethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
PubChem CID144752499
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Nameethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
SMILESCC.Cc1ncnc2sc3c(c12)CCCO3
InChIInChI=1S/C10H10N2OS.C2H6/c1-6-8-7-3-2-4-13-10(7)14-9(8)12-5-11-6;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyBPCPYQQLFUWSPF-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene with MolForge

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Related Compounds

6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine
CID 145087498
methyl (7S)-4-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
CID 122607734
N,N-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 4112641
4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 717679
N,N-dimethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 806289
12-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 133391291
4-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 110172539
4-(4-methylpiperazine-1,4-diium-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 5177366
ethane;3-ethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 144752404
N-[(2S)-pentan-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7831257
2-ethyl-4-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 43055518
N-[(Z)-(2-methylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 58379466

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The IUPAC name of ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene (CID 144752499) is ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
What is the SMILES notation for ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The canonical SMILES for ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene is CC.Cc1ncnc2sc3c(c12)CCCO3.
What is the InChIKey of ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The InChIKey is BPCPYQQLFUWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS.C2H6/c1-6-8-7-3-2-4-13-10(7)14-9(8)12-5-11-6;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene has a molecular weight of 236.34 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-10-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene is sourced from PubChem (CID 144752499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).