2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide

C22H24N2O3S — CID 25260431

IUPAC2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccc(C(=O)/N=c2\scc(-c3c(C)cc(C)cc3C)n2C)c(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-13-9-14(2)20(15(3)10-13)18-12-28-22(24(18)4)23-21(25)17-8-7-16(26-5)11-19(17)27-6/h7-12H,1-6H3/b23-22-
InChIKeyYPINTWJZVWUVHM-FCQUAONHSA-N
MW396.51 g/mol
LogP4.44
Rot. Bonds4

About 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide

2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 25260431) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID25260431
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccc(C(=O)/N=c2\scc(-c3c(C)cc(C)cc3C)n2C)c(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-13-9-14(2)20(15(3)10-13)18-12-28-22(24(18)4)23-21(25)17-8-7-16(26-5)11-19(17)27-6/h7-12H,1-6H3/b23-22-
InChIKeyYPINTWJZVWUVHM-FCQUAONHSA-N
XLogP4.44
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 2150844
N-[3-[3-(2-hydroxyethylamino)propyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-ylidene]-2,4-dimethoxybenzamide
CID 20815507
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848920
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2,5-dimethoxybenzamide
CID 16848926
N-[3-[3-(butylcarbamoylamino)propyl]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-ylidene]-2,4-dimethoxybenzamide
CID 20815542
N-(5,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848931
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 43984726
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 40885790
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
methyl 2-(2,4-dimethoxybenzoyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 3495222

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide (CID 25260431) is 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide is COc1ccc(C(=O)/N=c2\scc(-c3c(C)cc(C)cc3C)n2C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is YPINTWJZVWUVHM-FCQUAONHSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-13-9-14(2)20(15(3)10-13)18-12-28-22(24(18)4)23-21(25)17-8-7-16(26-5)11-19(17)27-6/h7-12H,1-6H3/b23-22-.
What are the key properties of 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide?
2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 396.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 25260431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).