N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide

C21H16ClN3O3S — CID 135642532

About N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide

N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 135642532) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
• PubChem CID: 135642532
• Molecular Formula: C21H16ClN3O3S
• Molecular Weight: 425.90 g/mol
• Exact Mass: 425.06
• IUPAC Name: N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
• SMILES: CC1=Nc2ccccc2/C1=C\c1sc(=O)n(CC(=O)Nc2cccc(Cl)c2)c1O
• InChI: InChI=1S/C21H16ClN3O3S/c1-12-16(15-7-2-3-8-17(15)23-12)10-18-20(27)25(21(28)29-18)11-19(26)24-14-6-4-5-13(22)9-14/h2-10,27H,11H2,1H3,(H,24,26)/b16-10-
• InChIKey: ZMINTRZFWFFBMW-YBEGLDIGSA-N
• XLogP: 4.55
• 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	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide (CID 135642532) is N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide is CC1=Nc2ccccc2/C1=C\c1sc(=O)n(CC(=O)Nc2cccc(Cl)c2)c1O.

What is the InChIKey of N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?

The InChIKey is ZMINTRZFWFFBMW-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-12-16(15-7-2-3-8-17(15)23-12)10-18-20(27)25(21(28)29-18)11-19(26)24-14-6-4-5-13(22)9-14/h2-10,27H,11H2,1H3,(H,24,26)/b16-10-.

What are the key properties of N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?

N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 425.90 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 135642532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).