N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

C25H22N2O2S — CID 46067249

IUPACN-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C25H22N2O2S/c1-27(16-19-10-4-2-5-11-19)25(28)22-18-30-24(26-22)21-14-8-9-15-23(21)29-17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3
InChIKeyWPTFYBAAYXWCEL-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.66
Rot. Bonds7

About N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46067249) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46067249
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C25H22N2O2S/c1-27(16-19-10-4-2-5-11-19)25(28)22-18-30-24(26-22)21-14-8-9-15-23(21)29-17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3
InChIKeyWPTFYBAAYXWCEL-UHFFFAOYSA-N
XLogP5.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46564945
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46003452
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-benzyl-2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46066950
2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068237
N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46067142
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46067249) is N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2OCc2ccccc2)n1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WPTFYBAAYXWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-27(16-19-10-4-2-5-11-19)25(28)22-18-30-24(26-22)21-14-8-9-15-23(21)29-17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).