2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole

C15H17NOS — CID 3592288

IUPAC2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole
SMILESCC1CC(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C15H17NOS/c1-11-9-13(7-8-17-11)15-16-14(10-18-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyBIXHKCSGAFJSKI-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.09
Rot. Bonds2

About 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole

2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole (PubChem CID 3592288) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole
PubChem CID3592288
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole
SMILESCC1CC(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C15H17NOS/c1-11-9-13(7-8-17-11)15-16-14(10-18-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyBIXHKCSGAFJSKI-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole (CID 3592288) is 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole is CC1CC(c2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole?
The InChIKey is BIXHKCSGAFJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-9-13(7-8-17-11)15-16-14(10-18-15)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3.
What are the key properties of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole?
2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole has a molecular weight of 259.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 3592288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).