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

C12H7N3OS — CID 116866952

IUPAC4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1scnc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H7N3OS/c13-5-10-12(14-6-17-10)7-1-2-9-8(3-7)4-11(16)15-9/h1-3,6H,4H2,(H,15,16)
InChIKeyMLOHRYGWPRKDCL-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.18
Rot. Bonds1

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

4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 116866952) has the molecular formula C12H7N3OS and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
PubChem CID116866952
Molecular FormulaC12H7N3OS
Molecular Weight241.28 g/mol
Exact Mass241.03
IUPAC Name4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1scnc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H7N3OS/c13-5-10-12(14-6-17-10)7-1-2-9-8(3-7)4-11(16)15-9/h1-3,6H,4H2,(H,15,16)
InChIKeyMLOHRYGWPRKDCL-UHFFFAOYSA-N
XLogP2.18
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867086
2-methylsulfanyl-6-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrimidine-5-carbonitrile
CID 168588788
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-thiophen-2-yl-1,3-dihydroindol-2-one
CID 16637508
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
4-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]benzonitrile
CID 122655667
4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
4-(3-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 116866925
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile (CID 116866952) is 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile is N#Cc1scnc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is MLOHRYGWPRKDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3OS/c13-5-10-12(14-6-17-10)7-1-2-9-8(3-7)4-11(16)15-9/h1-3,6H,4H2,(H,15,16).
What are the key properties of 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile?
4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 241.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116866952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).