2-phenoxy-4,5-dihydro-1,3-thiazole

C9H9NOS — CID 13158103

IUPAC2-phenoxy-4,5-dihydro-1,3-thiazole
SMILESc1ccc(OC2=NCCS2)cc1
InChIInChI=1S/C9H9NOS/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-5H,6-7H2
InChIKeyXVLGKOHIELUOJC-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.17
Rot. Bonds1

About 2-phenoxy-4,5-dihydro-1,3-thiazole

2-phenoxy-4,5-dihydro-1,3-thiazole (PubChem CID 13158103) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-phenoxy-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-phenoxy-4,5-dihydro-1,3-thiazole
PubChem CID13158103
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name2-phenoxy-4,5-dihydro-1,3-thiazole
SMILESc1ccc(OC2=NCCS2)cc1
InChIInChI=1S/C9H9NOS/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-5H,6-7H2
InChIKeyXVLGKOHIELUOJC-UHFFFAOYSA-N
XLogP2.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-phenoxy-4,5-dihydro-1,3-thiazole (CID 13158103) is 2-phenoxy-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-phenoxy-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-phenoxy-4,5-dihydro-1,3-thiazole is c1ccc(OC2=NCCS2)cc1.
What is the InChIKey of 2-phenoxy-4,5-dihydro-1,3-thiazole?
The InChIKey is XVLGKOHIELUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-5H,6-7H2.
What are the key properties of 2-phenoxy-4,5-dihydro-1,3-thiazole?
2-phenoxy-4,5-dihydro-1,3-thiazole has a molecular weight of 179.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 13158103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).