N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C18H22N2O3S — CID 2122608

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C
InChIInChI=1S/C18H22N2O3S/c1-10(2)15-7-6-14(8-11(15)3)23-9-16(22)20-18-19-12(4)17(24-18)13(5)21/h6-8,10H,9H2,1-5H3,(H,19,20,22)
InChIKeyUYFQWFGNPZIZOI-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.10
Rot. Bonds6

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 2122608) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID2122608
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C
InChIInChI=1S/C18H22N2O3S/c1-10(2)15-7-6-14(8-11(15)3)23-9-16(22)20-18-19-12(4)17(24-18)13(5)21/h6-8,10H,9H2,1-5H3,(H,19,20,22)
InChIKeyUYFQWFGNPZIZOI-UHFFFAOYSA-N
XLogP4.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098
Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
Methyl 4-methyl-2-[2-(naphthalen-1-yloxy)acetamido]-1,3-thiazole-5-carboxylate
CID 1317019
N-[5-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 3129848
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxypropanamide
CID 3152644
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 3155114
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3604644

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 2122608) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is UYFQWFGNPZIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-10(2)15-7-6-14(8-11(15)3)23-9-16(22)20-18-19-12(4)17(24-18)13(5)21/h6-8,10H,9H2,1-5H3,(H,19,20,22).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 346.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2122608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).