5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one

C19H11BrCl2N2O2S — CID 137083607

About 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one

5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 137083607) has the molecular formula C19H11BrCl2N2O2S and a molecular weight of 482.19 g/mol. Its IUPAC name is 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
• PubChem CID: 137083607
• Molecular Formula: C19H11BrCl2N2O2S
• Molecular Weight: 482.19 g/mol
• Exact Mass: 479.91
• IUPAC Name: 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
• SMILES: O=c1sc(C=C2C=Nc3ccc(Br)cc32)c(O)n1Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C19H11BrCl2N2O2S/c20-12-2-4-16-14(6-12)11(8-23-16)5-17-18(25)24(19(26)27-17)9-10-1-3-13(21)7-15(10)22/h1-8,25H,9H2
• InChIKey: DAOVSZMOKLDYDA-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 54.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.19
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?

The IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one (CID 137083607) is 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one.

What is the SMILES notation for 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?

The canonical SMILES for 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one is O=c1sc(C=C2C=Nc3ccc(Br)cc32)c(O)n1Cc1ccc(Cl)cc1Cl.

What is the InChIKey of 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?

The InChIKey is DAOVSZMOKLDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrCl2N2O2S/c20-12-2-4-16-14(6-12)11(8-23-16)5-17-18(25)24(19(26)27-17)9-10-1-3-13(21)7-15(10)22/h1-8,25H,9H2.

What are the key properties of 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one?

5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 482.19 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 137083607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).