2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide

C22H24N2O3S — CID 41365907

IUPAC2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)NCCCOCc3ccccc3)cs2)cc1
InChIInChI=1S/C22H24N2O3S/c1-17-8-10-19(11-9-17)27-15-21-24-20(16-28-21)22(25)23-12-5-13-26-14-18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,23,25)
InChIKeyWFRXUCXGPCHDQZ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.37
Rot. Bonds10

About 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide

2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 41365907) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID41365907
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)NCCCOCc3ccccc3)cs2)cc1
InChIInChI=1S/C22H24N2O3S/c1-17-8-10-19(11-9-17)27-15-21-24-20(16-28-21)22(25)23-12-5-13-26-14-18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,23,25)
InChIKeyWFRXUCXGPCHDQZ-UHFFFAOYSA-N
XLogP4.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014469
2-[(4-methylphenoxy)methyl]-N-[(1R,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014468
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46434002
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-benzoyloxyethyl 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 43056522
N-butyl-2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42665364
2-(2-aminoethyl)-N-[3-(2-phenylethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624379
2-[(3,5-dimethylphenoxy)methyl]-N-[2-[(2,2-diphenylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 46105916

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide (CID 41365907) is 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)NCCCOCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WFRXUCXGPCHDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-17-8-10-19(11-9-17)27-15-21-24-20(16-28-21)22(25)23-12-5-13-26-14-18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15H2,1H3,(H,23,25).
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide?
2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 41365907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).