4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C24H20N2O2S — CID 126187920

IUPAC4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1
InChIInChI=1S/C24H20N2O2S/c1-17-6-5-9-21(14-17)28-15-18-10-12-20(13-11-18)23(27)26-24-25-22(16-29-24)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,25,26,27)
InChIKeyFQXXWTDZTRFNKE-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.95
Rot. Bonds6

About 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 126187920) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID126187920
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1
InChIInChI=1S/C24H20N2O2S/c1-17-6-5-9-21(14-17)28-15-18-10-12-20(13-11-18)23(27)26-24-25-22(16-29-24)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,25,26,27)
InChIKeyFQXXWTDZTRFNKE-UHFFFAOYSA-N
XLogP5.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]-N-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126038771
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17113568
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126044571
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 5019698
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 126187920) is 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1cccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1.
What is the InChIKey of 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FQXXWTDZTRFNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-6-5-9-21(14-17)28-15-18-10-12-20(13-11-18)23(27)26-24-25-22(16-29-24)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,25,26,27).
What are the key properties of 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 400.50 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 126187920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).