N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide

C24H20N2O2S — CID 56972420

IUPACN-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1C
InChIInChI=1S/C24H20N2O2S/c1-17-10-6-7-13-19(17)23(27)25-24-26(20-14-8-9-15-22(20)28-2)21(16-29-24)18-11-4-3-5-12-18/h3-16H,1-2H3/b25-24-
InChIKeyLWIGTHALDQCUHW-IZHYLOQSSA-N
MW400.50 g/mol
LogP5.26
Rot. Bonds4

About N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide

N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide (PubChem CID 56972420) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide
PubChem CID56972420
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1C
InChIInChI=1S/C24H20N2O2S/c1-17-10-6-7-13-19(17)23(27)25-24-26(20-14-8-9-15-22(20)28-2)21(16-29-24)18-11-4-3-5-12-18/h3-16H,1-2H3/b25-24-
InChIKeyLWIGTHALDQCUHW-IZHYLOQSSA-N
XLogP5.26
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 2131757
2-methyl-N-[4-methyl-3-(2,4,5-trichlorophenyl)-1,3-thiazol-2-ylidene]benzamide
CID 155514589
N-[3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide;hydrobromide
CID 44789503
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976
N-(3-ethenyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 118411247
2,4-dimethoxy-N-[3-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 25260431
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40508975
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152680
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide (CID 56972420) is N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide is COc1ccccc1-n1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1C.
What is the InChIKey of N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide?
The InChIKey is LWIGTHALDQCUHW-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-10-6-7-13-19(17)23(27)25-24-26(20-14-8-9-15-22(20)28-2)21(16-29-24)18-11-4-3-5-12-18/h3-16H,1-2H3/b25-24-.
What are the key properties of N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide?
N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2-methylbenzamide is sourced from PubChem (CID 56972420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).