N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C20H18N2O3S — CID 33141890

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1
InChIInChI=1S/C20H18N2O3S/c1-13-3-2-4-14(9-13)20-22-16(12-26-20)11-19(23)21-15-5-6-17-18(10-15)25-8-7-24-17/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,23)
InChIKeyWPEONVZGTDAEMH-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.07
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 33141890) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID33141890
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1
InChIInChI=1S/C20H18N2O3S/c1-13-3-2-4-14(9-13)20-22-16(12-26-20)11-19(23)21-15-5-6-17-18(10-15)25-8-7-24-17/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,23)
InChIKeyWPEONVZGTDAEMH-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16563397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332912
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386812
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
N-(6-methoxy-3-pyridinyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809068
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17498046
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16605105

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 33141890) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WPEONVZGTDAEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-3-2-4-14(9-13)20-22-16(12-26-20)11-19(23)21-15-5-6-17-18(10-15)25-8-7-24-17/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 33141890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).