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

C18H16N2O2S — CID 117084347

IUPACN-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-7-14(8-10-15)18-20-12-16(23-18)17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyAPLKRLPYEQIJGW-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.75
Rot. Bonds5

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

N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 117084347) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID117084347
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3ccccc3)s2)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-7-14(8-10-15)18-20-12-16(23-18)17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyAPLKRLPYEQIJGW-UHFFFAOYSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553
N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55718847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (CID 117084347) is N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCc3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is APLKRLPYEQIJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-15-9-7-14(8-10-15)18-20-12-16(23-18)17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).