2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

C26H24N2O4S — CID 24503927

IUPAC2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O4S/c1-30-20-14-17(15-21(31-2)23(20)32-3)16-27-25(29)24-22(18-10-6-4-7-11-18)28-26(33-24)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyDFHYNNNPTCZYTI-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.43
Rot. Bonds8

About 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 24503927) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID24503927
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O4S/c1-30-20-14-17(15-21(31-2)23(20)32-3)16-27-25(29)24-22(18-10-6-4-7-11-18)28-26(33-24)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyDFHYNNNPTCZYTI-UHFFFAOYSA-N
XLogP5.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 43039542
2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24821892
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 32627812
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121137383

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 24503927) is 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is COc1cc(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DFHYNNNPTCZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-30-20-14-17(15-21(31-2)23(20)32-3)16-27-25(29)24-22(18-10-6-4-7-11-18)28-26(33-24)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24503927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).