N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H10N2O3S — CID 2314694

IUPACN-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1=COCCO1
InChIInChI=1S/C12H10N2O3S/c15-11(9-7-16-5-6-17-9)14-12-13-8-3-1-2-4-10(8)18-12/h1-4,7H,5-6H2,(H,13,14,15)
InChIKeyZNGPOOQENQJNDX-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.12
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 2314694) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID2314694
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1=COCCO1
InChIInChI=1S/C12H10N2O3S/c15-11(9-7-16-5-6-17-9)14-12-13-8-3-1-2-4-10(8)18-12/h1-4,7H,5-6H2,(H,13,14,15)
InChIKeyZNGPOOQENQJNDX-UHFFFAOYSA-N
XLogP2.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 3329466
N-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4913591
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 139796630
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8702482
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 9235714
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 2314694) is N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc2ccccc2s1)C1=COCCO1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ZNGPOOQENQJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(9-7-16-5-6-17-9)14-12-13-8-3-1-2-4-10(8)18-12/h1-4,7H,5-6H2,(H,13,14,15).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 2314694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).