2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide

C26H29N3O3S — CID 93014469

IUPAC2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C26H29N3O3S/c1-18-11-13-20(14-12-18)32-16-25-28-23(17-33-25)26(31)29-22-10-6-5-9-21(22)27-24(30)15-19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21-22H,5-6,9-10,15-16H2,1H3,(H,27,30)(H,29,31)/t21-,22+/m1/s1
InChIKeyZOFGSCYNCPGUNG-YADHBBJMSA-N
MW463.60 g/mol
LogP4.43
Rot. Bonds8

About 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide

2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 93014469) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID93014469
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C26H29N3O3S/c1-18-11-13-20(14-12-18)32-16-25-28-23(17-33-25)26(31)29-22-10-6-5-9-21(22)27-24(30)15-19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21-22H,5-6,9-10,15-16H2,1H3,(H,27,30)(H,29,31)/t21-,22+/m1/s1
InChIKeyZOFGSCYNCPGUNG-YADHBBJMSA-N
XLogP4.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-methylphenoxy)methyl]-N-[(1R,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014468
N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879967
2-[(4-methylphenoxy)methyl]-N-[(1S,2S)-2-(pentanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014451
N-[(1R,2S)-2-[(2-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014458
2-[(3,5-dimethylphenoxy)methyl]-N-[(1R,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014586
2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014549
N-[(1R,2S)-2-[(4-ethylbenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014537
N-[2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879965
N-[(1R,2R)-2-(benzylcarbamoylamino)cyclohexyl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014794
N-[(1S,2S)-2-[(2,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014463
N-[(1S,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014391
N-[2-(naphthalene-2-carbonylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 46105804

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide (CID 93014469) is 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)Cc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZOFGSCYNCPGUNG-YADHBBJMSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-18-11-13-20(14-12-18)32-16-25-28-23(17-33-25)26(31)29-22-10-6-5-9-21(22)27-24(30)15-19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21-22H,5-6,9-10,15-16H2,1H3,(H,27,30)(H,29,31)/t21-,22+/m1/s1.
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide?
2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-[(1S,2R)-2-[(2-phenylacetyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93014469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).