4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

C24H28N2O2S — CID 5196825

IUPAC4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C24H28N2O2S/c1-3-4-5-6-15-28-21-13-11-20(12-14-21)23(27)26-24-25-17-22(29-24)16-19-9-7-18(2)8-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,25,26,27)
InChIKeyMGALSNWQJPKEJT-UHFFFAOYSA-N
MW408.57 g/mol
LogP6.25
Rot. Bonds10

About 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 5196825) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID5196825
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C24H28N2O2S/c1-3-4-5-6-15-28-21-13-11-20(12-14-21)23(27)26-24-25-17-22(29-24)16-19-9-7-18(2)8-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,25,26,27)
InChIKeyMGALSNWQJPKEJT-UHFFFAOYSA-N
XLogP6.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3928165
2-cyano-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-pentoxyphenyl)prop-2-enamide
CID 5167844
(E)-2-cyano-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-pentoxyphenyl)prop-2-enamide
CID 6289656
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
4-hexoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 4565662
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-4-pentoxybenzamide
CID 3608845
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 5196825) is 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is CCCCCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1.
What is the InChIKey of 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is MGALSNWQJPKEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-3-4-5-6-15-28-21-13-11-20(12-14-21)23(27)26-24-25-17-22(29-24)16-19-9-7-18(2)8-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,25,26,27).
What are the key properties of 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 408.57 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5196825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).