6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione

C17H10N2O2S — CID 3561841

IUPAC6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1-c1nccs1
InChIInChI=1S/C17H10N2O2S/c20-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(21)19(15)17-18-9-10-22-17/h1-10H
InChIKeyKOLHBKNVYPUCHU-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.96
Rot. Bonds1

About 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione

6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 3561841) has the molecular formula C17H10N2O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
PubChem CID3561841
Molecular FormulaC17H10N2O2S
Molecular Weight306.35 g/mol
Exact Mass306.05
IUPAC Name6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1-c1nccs1
InChIInChI=1S/C17H10N2O2S/c20-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(21)19(15)17-18-9-10-22-17/h1-10H
InChIKeyKOLHBKNVYPUCHU-UHFFFAOYSA-N
XLogP2.96
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
CID 91621526
3-hydroxy-4-[(4-hydroxyphenyl)iminomethyl]-2-(1,3-thiazol-2-yl)isoquinolin-1-one
CID 2390010
3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 102030654
2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
CID 1042831
2-[[3-hydroxy-1-oxo-2-(1,3-thiazol-2-yl)isoquinolin-4-yl]methylideneamino]benzoate
CID 2390138
4-(1,3-benzodioxol-5-yliminomethyl)-3-hydroxy-2-(1,3-thiazol-2-yl)isoquinolin-1-one
CID 2390056
2-[2-oxo-3-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetaldehyde
CID 58710653
5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
CID 135608428
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
3-(2,6-dimethylphenyl)-2-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 2553990
6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 991689
2-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phthalazin-1-one
CID 51306307

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione (CID 3561841) is 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione is O=c1c2ccccc2c2ccccc2c(=O)n1-c1nccs1.
What is the InChIKey of 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is KOLHBKNVYPUCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2S/c20-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(21)19(15)17-18-9-10-22-17/h1-10H.
What are the key properties of 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione?
6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 306.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 3561841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).