14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene

C14H12N2S — CID 115404323

IUPAC14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
SMILESCc1cccn2c3c(nc12)-c1ccsc1CC3
InChIInChI=1S/C14H12N2S/c1-9-3-2-7-16-11-4-5-12-10(6-8-17-12)13(11)15-14(9)16/h2-3,6-8H,4-5H2,1H3
InChIKeyAHEQHOZFJXTGGD-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.47
Rot. Bonds

About 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene

14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene (PubChem CID 115404323) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene.

Molecular Properties

Compound Name14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
PubChem CID115404323
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
SMILESCc1cccn2c3c(nc12)-c1ccsc1CC3
InChIInChI=1S/C14H12N2S/c1-9-3-2-7-16-11-4-5-12-10(6-8-17-12)13(11)15-14(9)16/h2-3,6-8H,4-5H2,1H3
InChIKeyAHEQHOZFJXTGGD-UHFFFAOYSA-N
XLogP3.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene with MolForge

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Related Compounds

8-methyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619167
4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115281707
8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
CID 122382361
10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 55268542
5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 115404304
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942
8-methyl-N-phenyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 15989567
4,6,6-trimethyl-8,9-dihydro-7H-pyrido[1,2-a]benzimidazole
CID 115404376
9-methyl-4-oxo-2-thiophen-2-ylpyrido[1,2-a]pyrimidine-3-carbonitrile
CID 132511398
3-methoxy-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 13211847
8-methyl-2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222293
14-methoxy-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 113315478

Frequently Asked Questions

What is the IUPAC name of 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The IUPAC name of 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene (CID 115404323) is 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene.
What is the SMILES notation for 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The canonical SMILES for 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene is Cc1cccn2c3c(nc12)-c1ccsc1CC3.
What is the InChIKey of 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The InChIKey is AHEQHOZFJXTGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-3-2-7-16-11-4-5-12-10(6-8-17-12)13(11)15-14(9)16/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene has a molecular weight of 240.33 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene is sourced from PubChem (CID 115404323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).