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

C16H12N2O3S — CID 3605061

IUPACN-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1COc2ccccc2O1
InChIInChI=1S/C16H12N2O3S/c19-15(13-9-20-11-6-2-3-7-12(11)21-13)18-16-17-10-5-1-4-8-14(10)22-16/h1-8,13H,9H2,(H,17,18,19)
InChIKeyRWZAIHHFBKOVIK-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.07
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3605061) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3605061
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1COc2ccccc2O1
InChIInChI=1S/C16H12N2O3S/c19-15(13-9-20-11-6-2-3-7-12(11)21-13)18-16-17-10-5-1-4-8-14(10)22-16/h1-8,13H,9H2,(H,17,18,19)
InChIKeyRWZAIHHFBKOVIK-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5056270
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide
CID 60143342
N'-(4-methoxybenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 16194584
N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
CID 951327
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 2382005
N-(6-ethoxy-1,3-benzothiazol-2-yl)tetrahydrofuran-2-carboxamide
CID 3157156
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
[2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8899148
N'-(4,6-difluorobenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 16195003
N'-(4-fluorobenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 16195021
2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 3534311
R 47243
CID 128556

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3605061) is N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1nc2ccccc2s1)C1COc2ccccc2O1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is RWZAIHHFBKOVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(13-9-20-11-6-2-3-7-12(11)21-13)18-16-17-10-5-1-4-8-14(10)22-16/h1-8,13H,9H2,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.07, 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-benzodioxine-3-carboxamide is sourced from PubChem (CID 3605061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).