N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H18N2O5S — CID 5219831

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)c(OC)c1
InChIInChI=1S/C20H18N2O5S/c1-24-13-4-5-14(17(10-13)25-2)15-11-28-20(21-15)22-19(23)12-3-6-16-18(9-12)27-8-7-26-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,22,23)
InChIKeyYMAOCIBHWODOCG-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 5219831) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID5219831
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)c(OC)c1
InChIInChI=1S/C20H18N2O5S/c1-24-13-4-5-14(17(10-13)25-2)15-11-28-20(21-15)22-19(23)12-3-6-16-18(9-12)27-8-7-26-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,22,23)
InChIKeyYMAOCIBHWODOCG-UHFFFAOYSA-N
XLogP3.85
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 2127477
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 4111761
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxyquinoline-2-carboxamide
CID 35804340
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446124
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848719
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 5219831) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is YMAOCIBHWODOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-24-13-4-5-14(17(10-13)25-2)15-11-28-20(21-15)22-19(23)12-3-6-16-18(9-12)27-8-7-26-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 5219831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).