2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

C26H23N3O2S — CID 42271197

IUPAC2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H23N3O2S/c1-19-25(32-24(28-19)16-20-8-4-2-5-9-20)26(30)29-27-17-21-12-14-23(15-13-21)31-18-22-10-6-3-7-11-22/h2-15,17H,16,18H2,1H3,(H,29,30)/b27-17-
InChIKeyBZDXMBXSYZFLPU-PKAZHMFMSA-N
MW441.56 g/mol
LogP5.39
Rot. Bonds8

About 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 42271197) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID42271197
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H23N3O2S/c1-19-25(32-24(28-19)16-20-8-4-2-5-9-20)26(30)29-27-17-21-12-14-23(15-13-21)31-18-22-10-6-3-7-11-22/h2-15,17H,16,18H2,1H3,(H,29,30)/b27-17-
InChIKeyBZDXMBXSYZFLPU-PKAZHMFMSA-N
XLogP5.39
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-[(E)-benzylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024482
2-benzyl-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024471
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110339735
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 123654254
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 42271197) is 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is BZDXMBXSYZFLPU-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-19-25(32-24(28-19)16-20-8-4-2-5-9-20)26(30)29-27-17-21-12-14-23(15-13-21)31-18-22-10-6-3-7-11-22/h2-15,17H,16,18H2,1H3,(H,29,30)/b27-17-.
What are the key properties of 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42271197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).