2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

C20H19N3O2S2 — CID 123351287

IUPAC2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(C)c(C(=O)NN=Cc2ccc(SC)cc2)s1
InChIInChI=1S/C20H19N3O2S2/c1-13-18(27-20(22-13)16-6-4-5-7-17(16)25-2)19(24)23-21-12-14-8-10-15(26-3)11-9-14/h4-12H,1-3H3,(H,23,24)
InChIKeyMJVVTBQKQOCXJH-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.61
Rot. Bonds6

About 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide

2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 123351287) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID123351287
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc(C)c(C(=O)NN=Cc2ccc(SC)cc2)s1
InChIInChI=1S/C20H19N3O2S2/c1-13-18(27-20(22-13)16-6-4-5-7-17(16)25-2)19(24)23-21-12-14-8-10-15(26-3)11-9-14/h4-12H,1-3H3,(H,23,24)
InChIKeyMJVVTBQKQOCXJH-UHFFFAOYSA-N
XLogP4.61
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(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)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 136508307
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 89469656
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
2-(4-chloro-2-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136508352
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337589
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-2-(2-nitrosophenyl)-1,3-thiazole-5-carboxamide
CID 137296420
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide (CID 123351287) is 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is COc1ccccc1-c1nc(C)c(C(=O)NN=Cc2ccc(SC)cc2)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is MJVVTBQKQOCXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-13-18(27-20(22-13)16-6-4-5-7-17(16)25-2)19(24)23-21-12-14-8-10-15(26-3)11-9-14/h4-12H,1-3H3,(H,23,24).
What are the key properties of 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide?
2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123351287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).