5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide

C12H11N3O3S — CID 86046983

IUPAC5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide
SMILESNc1ccc(C(=O)Nc2nccs2)c2c1OCCO2
InChIInChI=1S/C12H11N3O3S/c13-8-2-1-7(9-10(8)18-5-4-17-9)11(16)15-12-14-3-6-19-12/h1-3,6H,4-5,13H2,(H,14,15,16)
InChIKeyNZADZHAPPVSDKT-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.75
Rot. Bonds2

About 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide

5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide (PubChem CID 86046983) has the molecular formula C12H11N3O3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide
PubChem CID86046983
Molecular FormulaC12H11N3O3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide
SMILESNc1ccc(C(=O)Nc2nccs2)c2c1OCCO2
InChIInChI=1S/C12H11N3O3S/c13-8-2-1-7(9-10(8)18-5-4-17-9)11(16)15-12-14-3-6-19-12/h1-3,6H,4-5,13H2,(H,14,15,16)
InChIKeyNZADZHAPPVSDKT-UHFFFAOYSA-N
XLogP1.75
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763742
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 52714198
4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046995
4-amino-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 63107015
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The IUPAC name of 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide (CID 86046983) is 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The canonical SMILES for 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide is Nc1ccc(C(=O)Nc2nccs2)c2c1OCCO2.
What is the InChIKey of 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The InChIKey is NZADZHAPPVSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-8-2-1-7(9-10(8)18-5-4-17-9)11(16)15-12-14-3-6-19-12/h1-3,6H,4-5,13H2,(H,14,15,16).
What are the key properties of 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide is sourced from PubChem (CID 86046983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).