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

C19H12Br2N2O2S — CID 135440871

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

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135440871) has the molecular formula C19H12Br2N2O2S and a molecular weight of 492.19 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
• PubChem CID: 135440871
• Molecular Formula: C19H12Br2N2O2S
• Molecular Weight: 492.19 g/mol
• Exact Mass: 489.90
• IUPAC Name: 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
• SMILES: O=c1sc(/C=C2\C=Nc3ccc(Br)cc32)c(O)n1Cc1ccc(Br)cc1
• InChI: InChI=1S/C19H12Br2N2O2S/c20-13-3-1-11(2-4-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-6-5-14(21)8-15(12)16/h1-9,24H,10H2/b12-7+
• InChIKey: PNQMYINBMHALAP-KPKJPENVSA-N
• XLogP: 5.45
• TPSA: 54.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.19
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one (CID 135440871) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one.

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

The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one is O=c1sc(/C=C2\C=Nc3ccc(Br)cc32)c(O)n1Cc1ccc(Br)cc1.

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

The InChIKey is PNQMYINBMHALAP-KPKJPENVSA-N. The full InChI is InChI=1S/C19H12Br2N2O2S/c20-13-3-1-11(2-4-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-6-5-14(21)8-15(12)16/h1-9,24H,10H2/b12-7+.

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

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 492.19 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135440871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).