N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide

C20H20N2O4S — CID 1347169

IUPACN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2C)cc1OC
InChIInChI=1S/C20H20N2O4S/c1-12-18(13-9-10-16(25-3)17(11-13)26-4)21-20(27-12)22-19(23)14-7-5-6-8-15(14)24-2/h5-11H,1-4H3,(H,21,22,23)
InChIKeyVBWGMUHUTHQFLH-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.40
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 1347169) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID1347169
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2C)cc1OC
InChIInChI=1S/C20H20N2O4S/c1-12-18(13-9-10-16(25-3)17(11-13)26-4)21-20(27-12)22-19(23)14-7-5-6-8-15(14)24-2/h5-11H,1-4H3,(H,21,22,23)
InChIKeyVBWGMUHUTHQFLH-UHFFFAOYSA-N
XLogP4.40
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,3-difluorobenzamide
CID 75466790
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 48998312
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1147007
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 49035754
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49164169
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 1347169) is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2C)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is VBWGMUHUTHQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-12-18(13-9-10-16(25-3)17(11-13)26-4)21-20(27-12)22-19(23)14-7-5-6-8-15(14)24-2/h5-11H,1-4H3,(H,21,22,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 384.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 1347169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).