3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide

C19H24N2O4S — CID 46942897

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCC(C)C)sc1=O
InChIInChI=1S/C19H24N2O4S/c1-11(2)9-20-18(23)17-12(3)21(19(24)26-17)10-15-8-14(13(4)22)6-7-16(15)25-5/h6-8,11H,9-10H2,1-5H3,(H,20,23)
InChIKeyDKGZYNNMQDCKEU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.86
Rot. Bonds7

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide

3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46942897) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46942897
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCC(C)C)sc1=O
InChIInChI=1S/C19H24N2O4S/c1-11(2)9-20-18(23)17-12(3)21(19(24)26-17)10-15-8-14(13(4)22)6-7-16(15)25-5/h6-8,11H,9-10H2,1-5H3,(H,20,23)
InChIKeyDKGZYNNMQDCKEU-UHFFFAOYSA-N
XLogP2.86
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
CID 46943550
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34729772
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783690
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
2-[(5-acetyl-2-methoxyphenyl)methyl]-5,6-dichloroisoindole-1,3-dione
CID 2648987

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide (CID 46942897) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide is COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCC(C)C)sc1=O.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is DKGZYNNMQDCKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-11(2)9-20-18(23)17-12(3)21(19(24)26-17)10-15-8-14(13(4)22)6-7-16(15)25-5/h6-8,11H,9-10H2,1-5H3,(H,20,23).
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46942897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).