10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H15N3O2S — CID 866646

IUPAC10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1
InChIInChI=1S/C19H15N3O2S/c1-11-6-3-4-8-14(11)20-17(23)15-10-13-18(25-15)21-16-12(2)7-5-9-22(16)19(13)24/h3-10H,1-2H3,(H,20,23)
InChIKeyUQYBQTFRMWHXBR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.78
Rot. Bonds2

About 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 866646) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID866646
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1
InChIInChI=1S/C19H15N3O2S/c1-11-6-3-4-8-14(11)20-17(23)15-10-13-18(25-15)21-16-12(2)7-5-9-22(16)19(13)24/h3-10H,1-2H3,(H,20,23)
InChIKeyUQYBQTFRMWHXBR-UHFFFAOYSA-N
XLogP3.78
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 866646) is 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1.
What is the InChIKey of 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is UQYBQTFRMWHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-6-3-4-8-14(11)20-17(23)15-10-13-18(25-15)21-16-12(2)7-5-9-22(16)19(13)24/h3-10H,1-2H3,(H,20,23).
What are the key properties of 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-(2-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 866646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).