N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H16N2O4S — CID 56592906

IUPACN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(C)c2sc(NC(=O)C3=C(C)OCCO3)nc12
InChIInChI=1S/C15H16N2O4S/c1-8-4-5-10(19-3)11-13(8)22-15(16-11)17-14(18)12-9(2)20-6-7-21-12/h4-5H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyUXIBFAWMQWQKTG-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.83
Rot. Bonds3

About N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 56592906) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID56592906
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(C)c2sc(NC(=O)C3=C(C)OCCO3)nc12
InChIInChI=1S/C15H16N2O4S/c1-8-4-5-10(19-3)11-13(8)22-15(16-11)17-14(18)12-9(2)20-6-7-21-12/h4-5H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyUXIBFAWMQWQKTG-UHFFFAOYSA-N
XLogP2.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
1-(3,5-dimethylphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081034
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081028
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 7172929
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 56592906) is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1ccc(C)c2sc(NC(=O)C3=C(C)OCCO3)nc12.
What is the InChIKey of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is UXIBFAWMQWQKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-8-4-5-10(19-3)11-13(8)22-15(16-11)17-14(18)12-9(2)20-6-7-21-12/h4-5H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 56592906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).