5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione

C18H10BrClN2O2S — CID 3690926

IUPAC5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)c2ccc(Br)cc21
InChIInChI=1S/C18H10BrClN2O2S/c19-11-3-6-15-14(7-11)16(23)18(24)22(15)8-13-9-25-17(21-13)10-1-4-12(20)5-2-10/h1-7,9H,8H2
InChIKeyZXIPJRPTNQSATA-UHFFFAOYSA-N
MW433.71 g/mol
LogP4.96
Rot. Bonds3

About 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione

5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione (PubChem CID 3690926) has the molecular formula C18H10BrClN2O2S and a molecular weight of 433.71 g/mol. Its IUPAC name is 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione
PubChem CID3690926
Molecular FormulaC18H10BrClN2O2S
Molecular Weight433.71 g/mol
Exact Mass431.93
IUPAC Name5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)c2ccc(Br)cc21
InChIInChI=1S/C18H10BrClN2O2S/c19-11-3-6-15-14(7-11)16(23)18(24)22(15)8-13-9-25-17(21-13)10-1-4-12(20)5-2-10/h1-7,9H,8H2
InChIKeyZXIPJRPTNQSATA-UHFFFAOYSA-N
XLogP4.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.71
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione with MolForge

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Related Compounds

LOR-NOR-c954e7ad-1
CID 5211997
7-Bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61354627
5-Bromo-6-fluoro-1-(1,3-thiazol-4-ylmethyl)indole-2,3-dione
CID 61357357
5-Bromo-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61359687
7-Bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
CID 61484536
5-Bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-fluoroindole-2,3-dione
CID 61484705
5-Bromo-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-fluoroindole-2,3-dione
CID 80306131
7-Bromo-5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]indole-2,3-dione
CID 80312111
5-Bromo-6-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]indole-2,3-dione
CID 80313011
6-Bromo-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 41943982
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione
CID 135886706
2-[[(2-acetamido-5-bromobenzoyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 91462598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione (CID 3690926) is 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione is O=C1C(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione?
The InChIKey is ZXIPJRPTNQSATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN2O2S/c19-11-3-6-15-14(7-11)16(23)18(24)22(15)8-13-9-25-17(21-13)10-1-4-12(20)5-2-10/h1-7,9H,8H2.
What are the key properties of 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione?
5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione has a molecular weight of 433.71 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 3690926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).