N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

C17H14N2O3S — CID 5111081

IUPACN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCn1/c(=N/C(=O)C2=COCCO2)sc2c3ccccc3ccc21
InChIInChI=1S/C17H14N2O3S/c1-19-13-7-6-11-4-2-3-5-12(11)15(13)23-17(19)18-16(20)14-10-21-8-9-22-14/h2-7,10H,8-9H2,1H3/b18-17-
InChIKeyFNKVDFTVQFKVKX-ZCXUNETKSA-N
MW326.38 g/mol
LogP2.71
Rot. Bonds1

About N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 5111081) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID5111081
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCn1/c(=N/C(=O)C2=COCCO2)sc2c3ccccc3ccc21
InChIInChI=1S/C17H14N2O3S/c1-19-13-7-6-11-4-2-3-5-12(11)15(13)23-17(19)18-16(20)14-10-21-8-9-22-14/h2-7,10H,8-9H2,1H3/b18-17-
InChIKeyFNKVDFTVQFKVKX-ZCXUNETKSA-N
XLogP2.71
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4259218
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4568153
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
CID 2104949
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 41057046
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 3560928
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
CID 4624489
4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
CID 25406798

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 5111081) is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cn1/c(=N/C(=O)C2=COCCO2)sc2c3ccccc3ccc21.
What is the InChIKey of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is FNKVDFTVQFKVKX-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-19-13-7-6-11-4-2-3-5-12(11)15(13)23-17(19)18-16(20)14-10-21-8-9-22-14/h2-7,10H,8-9H2,1H3/b18-17-.
What are the key properties of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 5111081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).