2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C18H16N2O3S — CID 2101612

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1
InChIInChI=1S/C18H16N2O3S/c1-11-19-14-4-3-13(10-17(14)24-11)20-18(21)9-12-2-5-15-16(8-12)23-7-6-22-15/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)
InChIKeyPNQGGVLNWGBZDQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.56
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 2101612) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID2101612
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1
InChIInChI=1S/C18H16N2O3S/c1-11-19-14-4-3-13(10-17(14)24-11)20-18(21)9-12-2-5-15-16(8-12)23-7-6-22-15/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)
InChIKeyPNQGGVLNWGBZDQ-UHFFFAOYSA-N
XLogP3.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 3676509
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 45492808
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
2-(1,3-benzodioxol-5-yl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 41107549
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
CID 112523804
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26954281
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 2101612) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is PNQGGVLNWGBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-19-14-4-3-13(10-17(14)24-11)20-18(21)9-12-2-5-15-16(8-12)23-7-6-22-15/h2-5,8,10H,6-7,9H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 2101612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).