2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C26H25N3O3S — CID 57182035

IUPAC2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OCc2nc(C(=O)NCc3cccnc3)cs2)c(CCc2ccccc2)c1
InChIInChI=1S/C26H25N3O3S/c1-31-22-11-12-24(21(14-22)10-9-19-6-3-2-4-7-19)32-17-25-29-23(18-33-25)26(30)28-16-20-8-5-13-27-15-20/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,28,30)
InChIKeyRGVBCTGTXGQYLJ-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.84
Rot. Bonds10

About 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 57182035) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID57182035
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OCc2nc(C(=O)NCc3cccnc3)cs2)c(CCc2ccccc2)c1
InChIInChI=1S/C26H25N3O3S/c1-31-22-11-12-24(21(14-22)10-9-19-6-3-2-4-7-19)32-17-25-29-23(18-33-25)26(30)28-16-20-8-5-13-27-15-20/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,28,30)
InChIKeyRGVBCTGTXGQYLJ-UHFFFAOYSA-N
XLogP4.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003327
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003204
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-[[(4-methoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1032218
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003298
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110341871
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 57182035) is 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is COc1ccc(OCc2nc(C(=O)NCc3cccnc3)cs2)c(CCc2ccccc2)c1.
What is the InChIKey of 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RGVBCTGTXGQYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-31-22-11-12-24(21(14-22)10-9-19-6-3-2-4-7-19)32-17-25-29-23(18-33-25)26(30)28-16-20-8-5-13-27-15-20/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,28,30).
What are the key properties of 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 57182035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).