2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C17H18N4O2S — CID 91821404

IUPAC2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCn1ccc(NC(=O)C2N3C(=O)c4ccccc4C3SC2(C)C)n1
InChIInChI=1S/C17H18N4O2S/c1-17(2)13(14(22)18-12-8-9-20(3)19-12)21-15(23)10-6-4-5-7-11(10)16(21)24-17/h4-9,13,16H,1-3H3,(H,18,19,22)
InChIKeyZQURLYRBMZBQTJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.41
Rot. Bonds2

About 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 91821404) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID91821404
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCn1ccc(NC(=O)C2N3C(=O)c4ccccc4C3SC2(C)C)n1
InChIInChI=1S/C17H18N4O2S/c1-17(2)13(14(22)18-12-8-9-20(3)19-12)21-15(23)10-6-4-5-7-11(10)16(21)24-17/h4-9,13,16H,1-3H3,(H,18,19,22)
InChIKeyZQURLYRBMZBQTJ-UHFFFAOYSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-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 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 91821404) is 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is Cn1ccc(NC(=O)C2N3C(=O)c4ccccc4C3SC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is ZQURLYRBMZBQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-17(2)13(14(22)18-12-8-9-20(3)19-12)21-15(23)10-6-4-5-7-11(10)16(21)24-17/h4-9,13,16H,1-3H3,(H,18,19,22).
What are the key properties of 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylpyrazol-3-yl)-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 91821404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).