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

C21H20N2O4S — CID 49164169

IUPACN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc4c(c3)COC4)sc2C)cc1OC
InChIInChI=1S/C21H20N2O4S/c1-12-19(13-6-7-17(25-2)18(9-13)26-3)22-21(28-12)23-20(24)14-4-5-15-10-27-11-16(15)8-14/h4-9H,10-11H2,1-3H3,(H,22,23,24)
InChIKeyDLUHBHKOWBIRCF-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.42
Rot. Bonds5

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

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49164169) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49164169
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc4c(c3)COC4)sc2C)cc1OC
InChIInChI=1S/C21H20N2O4S/c1-12-19(13-6-7-17(25-2)18(9-13)26-3)22-21(28-12)23-20(24)14-4-5-15-10-27-11-16(15)8-14/h4-9H,10-11H2,1-3H3,(H,22,23,24)
InChIKeyDLUHBHKOWBIRCF-UHFFFAOYSA-N
XLogP4.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.42
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]-1-oxidopyridin-1-ium-3-carboxamide
CID 49035754
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
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]-2,3-difluorobenzamide
CID 75466790
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 2047594
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 167811487
[3-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108761036
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108761076

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49164169) is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide is COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)COC4)sc2C)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is DLUHBHKOWBIRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-12-19(13-6-7-17(25-2)18(9-13)26-3)22-21(28-12)23-20(24)14-4-5-15-10-27-11-16(15)8-14/h4-9H,10-11H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.42, 5 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]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49164169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).