N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide

C16H13N3O3S2 — CID 17426042

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C16H13N3O3S2/c1-23-15-9(3-2-4-17-15)14(20)19-16-18-10-7-11-12(8-13(10)24-16)22-6-5-21-11/h2-4,7-8H,5-6H2,1H3,(H,18,19,20)
InChIKeyKJYKUEMQTQURPB-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.44
Rot. Bonds3

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 17426042) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID17426042
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C16H13N3O3S2/c1-23-15-9(3-2-4-17-15)14(20)19-16-18-10-7-11-12(8-13(10)24-16)22-6-5-21-11/h2-4,7-8H,5-6H2,1H3,(H,18,19,20)
InChIKeyKJYKUEMQTQURPB-UHFFFAOYSA-N
XLogP3.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565461
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 7202838
2-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-fluorobenzamide
CID 43989658
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-ethylsulfanylbenzamide
CID 7578937
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 7203043
N-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f][1,3]benzothiazol-2-yl)-3-methyl-1,2-thiazole-4-carboxamide
CID 126787959
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 47047868
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 42146077
N-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f][1,3]benzothiazol-2-yl)-4-(dimethylamino)-3-fluorobenzamide
CID 71936292
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55380922

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 17426042) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is KJYKUEMQTQURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c1-23-15-9(3-2-4-17-15)14(20)19-16-18-10-7-11-12(8-13(10)24-16)22-6-5-21-11/h2-4,7-8H,5-6H2,1H3,(H,18,19,20).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 17426042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).