13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C15H13N5O2S — CID 88936517

IUPAC13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)nc3n21
InChIInChI=1S/C15H13N5O2S/c1-8-7-17-14(22)11-6-9-2-3-10(18-12(9)20(8)11)13(21)19-15-16-4-5-23-15/h2-6,8H,7H2,1H3,(H,17,22)(H,16,19,21)
InChIKeyLOVYPHDMDZPQDA-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.05
Rot. Bonds2

About 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 88936517) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID88936517
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)nc3n21
InChIInChI=1S/C15H13N5O2S/c1-8-7-17-14(22)11-6-9-2-3-10(18-12(9)20(8)11)13(21)19-15-16-4-5-23-15/h2-6,8H,7H2,1H3,(H,17,22)(H,16,19,21)
InChIKeyLOVYPHDMDZPQDA-UHFFFAOYSA-N
XLogP2.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 88936517) is 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)nc3n21.
What is the InChIKey of 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is LOVYPHDMDZPQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-8-7-17-14(22)11-6-9-2-3-10(18-12(9)20(8)11)13(21)19-15-16-4-5-23-15/h2-6,8H,7H2,1H3,(H,17,22)(H,16,19,21).
What are the key properties of 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-10-oxo-N-(1,3-thiazol-2-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 88936517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).