N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide

C15H11N3O3S — CID 139796630

IUPACN-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cnc2c(c1)OCCO2
InChIInChI=1S/C15H11N3O3S/c19-13(9-7-11-14(16-8-9)21-6-5-20-11)18-15-17-10-3-1-2-4-12(10)22-15/h1-4,7-8H,5-6H2,(H,17,18,19)
InChIKeyZFTAXVAUPKVILX-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.71
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide

N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide (PubChem CID 139796630) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
PubChem CID139796630
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cnc2c(c1)OCCO2
InChIInChI=1S/C15H11N3O3S/c19-13(9-7-11-14(16-8-9)21-6-5-20-11)18-15-17-10-3-1-2-4-12(10)22-15/h1-4,7-8H,5-6H2,(H,17,18,19)
InChIKeyZFTAXVAUPKVILX-UHFFFAOYSA-N
XLogP2.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4913591
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2314694
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 52687935
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 35993606
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide (CID 139796630) is N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide is O=C(Nc1nc2ccccc2s1)c1cnc2c(c1)OCCO2.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
The InChIKey is ZFTAXVAUPKVILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-13(9-7-11-14(16-8-9)21-6-5-20-11)18-15-17-10-3-1-2-4-12(10)22-15/h1-4,7-8H,5-6H2,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide?
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 139796630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).