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

C21H22N2O5S — CID 23613096

IUPAC3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C21H22N2O5S/c1-25-16-7-5-13(6-8-16)21-23-15(12-29-21)11-22-20(24)14-9-17(26-2)19(28-4)18(10-14)27-3/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyPHLIBQYUIKTDGM-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.77
Rot. Bonds8

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

3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 23613096) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID23613096
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C21H22N2O5S/c1-25-16-7-5-13(6-8-16)21-23-15(12-29-21)11-22-20(24)14-9-17(26-2)19(28-4)18(10-14)27-3/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyPHLIBQYUIKTDGM-UHFFFAOYSA-N
XLogP3.77
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
3,4,5-trimethoxy-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867378
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613074
3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 108760331
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666393
2-bromo-3,4,5-trimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771056
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 75375278

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide (CID 23613096) is 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide is COc1ccc(-c2nc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is PHLIBQYUIKTDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-25-16-7-5-13(6-8-16)21-23-15(12-29-21)11-22-20(24)14-9-17(26-2)19(28-4)18(10-14)27-3/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 414.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 23613096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).