(2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide

C12H12N4O2S — CID 51494783

IUPAC(2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide
SMILESCc1nn([C@H](C)C(N)=O)c(=O)c2cc3ccsc3n12
InChIInChI=1S/C12H12N4O2S/c1-6(10(13)17)16-11(18)9-5-8-3-4-19-12(8)15(9)7(2)14-16/h3-6H,1-2H3,(H2,13,17)/t6-/m1/s1
InChIKeyVDLMIRRQYZYEIQ-ZCFIWIBFSA-N
MW276.32 g/mol
LogP1.07
Rot. Bonds2

About (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide

(2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide (PubChem CID 51494783) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide
PubChem CID51494783
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name(2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide
SMILESCc1nn([C@H](C)C(N)=O)c(=O)c2cc3ccsc3n12
InChIInChI=1S/C12H12N4O2S/c1-6(10(13)17)16-11(18)9-5-8-3-4-19-12(8)15(9)7(2)14-16/h3-6H,1-2H3,(H2,13,17)/t6-/m1/s1
InChIKeyVDLMIRRQYZYEIQ-ZCFIWIBFSA-N
XLogP1.07
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide 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 (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide?
The IUPAC name of (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide (CID 51494783) is (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide.
What is the SMILES notation for (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide?
The canonical SMILES for (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide is Cc1nn([C@H](C)C(N)=O)c(=O)c2cc3ccsc3n12.
What is the InChIKey of (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide?
The InChIKey is VDLMIRRQYZYEIQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-6(10(13)17)16-11(18)9-5-8-3-4-19-12(8)15(9)7(2)14-16/h3-6H,1-2H3,(H2,13,17)/t6-/m1/s1.
What are the key properties of (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide?
(2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide has a molecular weight of 276.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(12-methyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)propanamide is sourced from PubChem (CID 51494783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).