3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one

C22H17ClN2O3S — CID 137124501

About 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one

3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 137124501) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one
• PubChem CID: 137124501
• Molecular Formula: C22H17ClN2O3S
• Molecular Weight: 424.91 g/mol
• Exact Mass: 424.06
• IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one
• SMILES: CCc1cccc2c1N=CC2=Cc1sc(=O)n(CC(=O)c2ccc(Cl)cc2)c1O
• InChI: InChI=1S/C22H17ClN2O3S/c1-2-13-4-3-5-17-15(11-24-20(13)17)10-19-21(27)25(22(28)29-19)12-18(26)14-6-8-16(23)9-7-14/h3-11,27H,2,12H2,1H3
• InChIKey: CBGCJKMHEKRMKO-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 71.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.91
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one?

The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one (CID 137124501) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one.

What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one?

The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one is CCc1cccc2c1N=CC2=Cc1sc(=O)n(CC(=O)c2ccc(Cl)cc2)c1O.

What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one?

The InChIKey is CBGCJKMHEKRMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-2-13-4-3-5-17-15(11-24-20(13)17)10-19-21(27)25(22(28)29-19)12-18(26)14-6-8-16(23)9-7-14/h3-11,27H,2,12H2,1H3.

What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one?

3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 424.91 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 137124501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).