N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

C23H19ClN2O2S — CID 84565264

IUPACN-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C23H19ClN2O2S/c1-14-21(13-22(28)26-19-12-17(24)9-10-20(19)27)29-23(25-14)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12,27H,11,13H2,1H3,(H,26,28)
InChIKeyOCUCWOQSZJCCRX-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.74
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565264) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID84565264
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C23H19ClN2O2S/c1-14-21(13-22(28)26-19-12-17(24)9-10-20(19)27)29-23(25-14)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12,27H,11,13H2,1H3,(H,26,28)
InChIKeyOCUCWOQSZJCCRX-UHFFFAOYSA-N
XLogP5.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564722
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 84565267
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide
CID 84564711
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565270
5-chloro-2-methoxy-4-[[2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetyl]amino]benzoic acid
CID 84565254
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565259
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565325
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide
CID 84565282
N-(2-acetamidoethyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564614

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565264) is N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is OCUCWOQSZJCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-14-21(13-22(28)26-19-12-17(24)9-10-20(19)27)29-23(25-14)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12,27H,11,13H2,1H3,(H,26,28).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 422.94 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).