4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

C21H21N3O2S — CID 110338438

IUPAC4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccccc1/C=N/NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C21H21N3O2S/c1-3-13-26-18-12-8-7-11-17(18)14-22-24-20(25)19-15(2)23-21(27-19)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,24,25)/b22-14+
InChIKeyFZBIQRPKWSYZPS-HYARGMPZSA-N
MW379.49 g/mol
LogP4.67
Rot. Bonds7

About 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 110338438) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID110338438
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccccc1/C=N/NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C21H21N3O2S/c1-3-13-26-18-12-8-7-11-17(18)14-22-24-20(25)19-15(2)23-21(27-19)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,24,25)/b22-14+
InChIKeyFZBIQRPKWSYZPS-HYARGMPZSA-N
XLogP4.67
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.67
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

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 89469656
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110338558
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110339422
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337589
2-benzyl-N-[(E)-benzylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024482

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 110338438) is 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is CCCOc1ccccc1/C=N/NC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is FZBIQRPKWSYZPS-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-13-26-18-12-8-7-11-17(18)14-22-24-20(25)19-15(2)23-21(27-19)16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,24,25)/b22-14+.
What are the key properties of 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110338438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).