2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile

C13H9N3OS — CID 116867086

IUPAC2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccc3c(c2)CC(=O)N3)c(C#N)s1
InChIInChI=1S/C13H9N3OS/c1-7-15-13(11(6-14)18-7)8-2-3-10-9(4-8)5-12(17)16-10/h2-4H,5H2,1H3,(H,16,17)
InChIKeyZIWYRKHUZCGZAS-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.48
Rot. Bonds1

About 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile

2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 116867086) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
PubChem CID116867086
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccc3c(c2)CC(=O)N3)c(C#N)s1
InChIInChI=1S/C13H9N3OS/c1-7-15-13(11(6-14)18-7)8-2-3-10-9(4-8)5-12(17)16-10/h2-4H,5H2,1H3,(H,16,17)
InChIKeyZIWYRKHUZCGZAS-UHFFFAOYSA-N
XLogP2.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116866952
2-methylsulfanyl-6-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrimidine-5-carbonitrile
CID 168588788
4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867055
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,3-dihydroindol-2-one
CID 82356402
7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983675
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
CID 146227564
5-(2-amino-5-ethyl-1,3-oxazol-4-yl)-1,3-dihydroindol-2-one
CID 116831905
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile (CID 116867086) is 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile is Cc1nc(-c2ccc3c(c2)CC(=O)N3)c(C#N)s1.
What is the InChIKey of 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is ZIWYRKHUZCGZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c1-7-15-13(11(6-14)18-7)8-2-3-10-9(4-8)5-12(17)16-10/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).