3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide

C19H18N2O3S — CID 129316336

IUPAC3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(=O)n(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-17(18(22)20-15-8-10-16(24-2)11-9-15)25-19(23)21(13)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyJXDRQZBWQPKBBY-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.53
Rot. Bonds5

About 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide

3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 129316336) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID129316336
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(=O)n(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-17(18(22)20-15-8-10-16(24-2)11-9-15)25-19(23)21(13)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyJXDRQZBWQPKBBY-UHFFFAOYSA-N
XLogP3.53
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide
CID 46947974
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498762
1-benzyl-2-N,4-N-bis(4-methoxyphenyl)-2,5-dimethyl-3-oxopyrrole-2,4-dicarboxamide
CID 101454056
4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82028792
N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797
methyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 19579270
3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 4968583
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (CID 129316336) is 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(=O)n(Cc3ccccc3)c2C)cc1.
What is the InChIKey of 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is JXDRQZBWQPKBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-17(18(22)20-15-8-10-16(24-2)11-9-15)25-19(23)21(13)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129316336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).