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

C20H20N2O4S — CID 71691502

IUPAC3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2csc(CNC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)16-12-27-19(22-16)11-21-20(23)14-6-9-17(25-2)18(10-14)26-3/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyCCEDTHNREDDGDO-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.77
Rot. Bonds7

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

3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 71691502) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID71691502
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2csc(CNC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)16-12-27-19(22-16)11-21-20(23)14-6-9-17(25-2)18(10-14)26-3/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyCCEDTHNREDDGDO-UHFFFAOYSA-N
XLogP3.77
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
3,4-dimethoxy-N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 54773773
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
3-[4-(aminomethyl)-3-methoxyphenoxy]-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide;hydrochloride
CID 154921332
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 126537956
6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
CID 167880403

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 71691502) is 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide is COc1ccc(-c2csc(CNC(=O)c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is CCEDTHNREDDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)16-12-27-19(22-16)11-21-20(23)14-6-9-17(25-2)18(10-14)26-3/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide?
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 71691502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).