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

C13H11N3O3S — CID 4195368

IUPACN-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C1=COCCO1
InChIInChI=1S/C13H11N3O3S/c17-12(11-7-18-5-6-19-11)16-13-15-10(8-20-13)9-1-3-14-4-2-9/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyIFLLGQWESXXDRS-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.03
Rot. Bonds3

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

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4195368) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID4195368
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C1=COCCO1
InChIInChI=1S/C13H11N3O3S/c17-12(11-7-18-5-6-19-11)16-13-15-10(8-20-13)9-1-3-14-4-2-9/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyIFLLGQWESXXDRS-UHFFFAOYSA-N
XLogP2.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate
CID 4103238
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4065102
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8702482
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17404336
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110443762
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 52900330
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5056270
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4195368) is N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)C1=COCCO1.
What is the InChIKey of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is IFLLGQWESXXDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-12(11-7-18-5-6-19-11)16-13-15-10(8-20-13)9-1-3-14-4-2-9/h1-4,7-8H,5-6H2,(H,15,16,17).
What are the key properties of N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4195368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).