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

C17H16N6O3S — CID 88936516

IUPACN-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)c2ccc3cc4n(c3n2)C(C)CNC4=O)n1
InChIInChI=1S/C17H16N6O3S/c1-8-6-19-16(26)12-5-9-3-4-10(20-13(9)23(8)12)15(25)22-17-21-11(7-27-17)14(24)18-2/h3-5,7-8H,6H2,1-2H3,(H,18,24)(H,19,26)(H,21,22,25)
InChIKeyURMDJMKUFXNKRG-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.41
Rot. Bonds3

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

N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 88936516) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID88936516
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)c2ccc3cc4n(c3n2)C(C)CNC4=O)n1
InChIInChI=1S/C17H16N6O3S/c1-8-6-19-16(26)12-5-9-3-4-10(20-13(9)23(8)12)15(25)22-17-21-11(7-27-17)14(24)18-2/h3-5,7-8H,6H2,1-2H3,(H,18,24)(H,19,26)(H,21,22,25)
InChIKeyURMDJMKUFXNKRG-UHFFFAOYSA-N
XLogP1.41
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 88936516) is N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(NC(=O)c2ccc3cc4n(c3n2)C(C)CNC4=O)n1.
What is the InChIKey of N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is URMDJMKUFXNKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-8-6-19-16(26)12-5-9-3-4-10(20-13(9)23(8)12)15(25)22-17-21-11(7-27-17)14(24)18-2/h3-5,7-8H,6H2,1-2H3,(H,18,24)(H,19,26)(H,21,22,25).
What are the key properties of N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 88936516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).