2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide

C20H18N2O3S — CID 35534478

IUPAC2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18N2O3S/c1-13-19(26-18(21-13)11-14-5-3-2-4-6-14)20(23)22-15-7-8-16-17(12-15)25-10-9-24-16/h2-8,12H,9-11H2,1H3,(H,22,23)
InChIKeyQHDQZVPKNHIPFD-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.07
Rot. Bonds4

About 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 35534478) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID35534478
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18N2O3S/c1-13-19(26-18(21-13)11-14-5-3-2-4-6-14)20(23)22-15-7-8-16-17(12-15)25-10-9-24-16/h2-8,12H,9-11H2,1H3,(H,22,23)
InChIKeyQHDQZVPKNHIPFD-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

2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24505672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 46437904
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 167764700
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55705974
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468257
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 35534478) is 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QHDQZVPKNHIPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-19(26-18(21-13)11-14-5-3-2-4-6-14)20(23)22-15-7-8-16-17(12-15)25-10-9-24-16/h2-8,12H,9-11H2,1H3,(H,22,23).
What are the key properties of 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide 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 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 35534478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).