2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C21H20N2O4S — CID 2671505

IUPAC2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COc3ccc(C(C)=O)cc3)sc2C)cc1
InChIInChI=1S/C21H20N2O4S/c1-13(24)15-4-10-18(11-5-15)27-12-19(25)22-21-23-20(14(2)28-21)16-6-8-17(26-3)9-7-16/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKeyQXECCALJTIPDCE-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.35
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 2671505) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID2671505
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COc3ccc(C(C)=O)cc3)sc2C)cc1
InChIInChI=1S/C21H20N2O4S/c1-13(24)15-4-10-18(11-5-15)27-12-19(25)22-21-23-20(14(2)28-21)16-6-8-17(26-3)9-7-16/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKeyQXECCALJTIPDCE-UHFFFAOYSA-N
XLogP4.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
A1AR antagonist 3
CID 129834603
A1/A3 AR antagonist 2
CID 162673862
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 5110663
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 2671505) is 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(=O)COc3ccc(C(C)=O)cc3)sc2C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is QXECCALJTIPDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-13(24)15-4-10-18(11-5-15)27-12-19(25)22-21-23-20(14(2)28-21)16-6-8-17(26-3)9-7-16/h4-11H,12H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2671505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).