[6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate

C22H14N2O4S — CID 58496333

IUPAC[6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate
SMILESCOc1ccc(-c2nc(-c3cccc(OC=O)n3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C22H14N2O4S/c1-26-18-10-9-14(20-13-5-2-3-7-17(13)28-21(18)20)22-24-16(11-29-22)15-6-4-8-19(23-15)27-12-25/h2-12H,1H3
InChIKeyXKOFIXWXLVELBZ-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.32
Rot. Bonds5

About [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate

[6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate (PubChem CID 58496333) has the molecular formula C22H14N2O4S and a molecular weight of 402.43 g/mol. Its IUPAC name is [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate.

Molecular Properties

Compound Name[6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate
PubChem CID58496333
Molecular FormulaC22H14N2O4S
Molecular Weight402.43 g/mol
Exact Mass402.07
IUPAC Name[6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate
SMILESCOc1ccc(-c2nc(-c3cccc(OC=O)n3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C22H14N2O4S/c1-26-18-10-9-14(20-13-5-2-3-7-17(13)28-21(18)20)22-24-16(11-29-22)15-6-4-8-19(23-15)27-12-25/h2-12H,1H3
InChIKeyXKOFIXWXLVELBZ-UHFFFAOYSA-N
XLogP5.32
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 46846614
CID 46846614
CID 6224077
CID 6224077
CID 46846411
CID 46846411
CID 46846420
CID 46846420
CID 46846421
CID 46846421
CID 46846512
CID 46846512
CID 46846513
CID 46846513
CID 46846514
CID 46846514
CID 46846609
CID 46846609
CID 46846611
CID 46846611
CID 46846615
CID 46846615
CID 46846700
CID 46846700

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate?
The IUPAC name of [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate (CID 58496333) is [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate.
What is the SMILES notation for [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate?
The canonical SMILES for [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate is COc1ccc(-c2nc(-c3cccc(OC=O)n3)cs2)c2c1oc1ccccc12.
What is the InChIKey of [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate?
The InChIKey is XKOFIXWXLVELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4S/c1-26-18-10-9-14(20-13-5-2-3-7-17(13)28-21(18)20)22-24-16(11-29-22)15-6-4-8-19(23-15)27-12-25/h2-12H,1H3.
What are the key properties of [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate?
[6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate has a molecular weight of 402.43 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl] formate is sourced from PubChem (CID 58496333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).