5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole

C13H13NO2S — CID 158518257

IUPAC5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole
SMILESc1cc(-c2ccc(C3COCCO3)cc2)sn1
InChIInChI=1S/C13H13NO2S/c1-3-11(13-5-6-14-17-13)4-2-10(1)12-9-15-7-8-16-12/h1-6,12H,7-9H2
InChIKeyHLWXPANZAHHCGT-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.90
Rot. Bonds2

About 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole

5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole (PubChem CID 158518257) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole.

Molecular Properties

Compound Name5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole
PubChem CID158518257
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole
SMILESc1cc(-c2ccc(C3COCCO3)cc2)sn1
InChIInChI=1S/C13H13NO2S/c1-3-11(13-5-6-14-17-13)4-2-10(1)12-9-15-7-8-16-12/h1-6,12H,7-9H2
InChIKeyHLWXPANZAHHCGT-UHFFFAOYSA-N
XLogP2.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole?
The IUPAC name of 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole (CID 158518257) is 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole.
What is the SMILES notation for 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole?
The canonical SMILES for 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole is c1cc(-c2ccc(C3COCCO3)cc2)sn1.
What is the InChIKey of 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole?
The InChIKey is HLWXPANZAHHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-11(13-5-6-14-17-13)4-2-10(1)12-9-15-7-8-16-12/h1-6,12H,7-9H2.
What are the key properties of 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole?
5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole has a molecular weight of 247.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,4-dioxan-2-yl)phenyl]-1,2-thiazole is sourced from PubChem (CID 158518257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).