N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide

C21H16ClN3O3S — CID 137068640

About N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 137068640) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
• PubChem CID: 137068640
• Molecular Formula: C21H16ClN3O3S
• Molecular Weight: 425.90 g/mol
• Exact Mass: 425.06
• IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)Cn1c(O)c(C=C2C=Nc3ccccc32)sc1=O
• InChI: InChI=1S/C21H16ClN3O3S/c1-12-6-7-14(22)9-17(12)24-19(26)11-25-20(27)18(29-21(25)28)8-13-10-23-16-5-3-2-4-15(13)16/h2-10,27H,11H2,1H3,(H,24,26)
• InChIKey: ISESSOAYVNLARR-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 83.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.90
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide (CID 137068640) is N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1c(O)c(C=C2C=Nc3ccccc32)sc1=O.

What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide?

The InChIKey is ISESSOAYVNLARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-12-6-7-14(22)9-17(12)24-19(26)11-25-20(27)18(29-21(25)28)8-13-10-23-16-5-3-2-4-15(13)16/h2-10,27H,11H2,1H3,(H,24,26).

What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide?

N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 425.90 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 137068640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).