N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide

C28H23N3O3S — CID 24985614

IUPACN-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2c(=O)ccc3cc(OCc4ccccc4)ccc32)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H23N3O3S/c1-19-26(27(33)29-17-20-8-4-2-5-9-20)35-28(30-19)31-24-14-13-23(16-22(24)12-15-25(31)32)34-18-21-10-6-3-7-11-21/h2-16H,17-18H2,1H3,(H,29,33)
InChIKeyYCMMFVKLFNQDLQ-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.26
Rot. Bonds7

About N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 24985614) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID24985614
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC NameN-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2c(=O)ccc3cc(OCc4ccccc4)ccc32)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H23N3O3S/c1-19-26(27(33)29-17-20-8-4-2-5-9-20)35-28(30-19)31-24-14-13-23(16-22(24)12-15-25(31)32)34-18-21-10-6-3-7-11-21/h2-16H,17-18H2,1H3,(H,29,33)
InChIKeyYCMMFVKLFNQDLQ-UHFFFAOYSA-N
XLogP5.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
CID 24984128
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031695
N-benzyl-2-[3-[(4-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59481262
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
N-benzyl-5-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1H-imidazole-4-carboxamide
CID 24985616
4-methyl-2-[(4-phenylmethoxyphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 9149376
[2-[5-(benzylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-6-oxo-1H-pyridin-4-yl] trifluoromethanesulfonate
CID 87529563
N-benzyl-2-[3-(4-fluorophenyl)-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58031500

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide (CID 24985614) is N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2c(=O)ccc3cc(OCc4ccccc4)ccc32)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YCMMFVKLFNQDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-19-26(27(33)29-17-20-8-4-2-5-9-20)35-28(30-19)31-24-14-13-23(16-22(24)12-15-25(31)32)34-18-21-10-6-3-7-11-21/h2-16H,17-18H2,1H3,(H,29,33).
What are the key properties of N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-(2-oxo-6-phenylmethoxyquinolin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24985614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).