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

C16H19NOS — CID 3068969

IUPAC2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole
SMILESCC1(C)CC(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C16H19NOS/c1-16(2)10-13(8-9-18-16)15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyWBYFUDAJPMHODG-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.48
Rot. Bonds2

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

2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole (PubChem CID 3068969) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole
PubChem CID3068969
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole
SMILESCC1(C)CC(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C16H19NOS/c1-16(2)10-13(8-9-18-16)15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyWBYFUDAJPMHODG-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole (CID 3068969) is 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole is CC1(C)CC(c2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole?
The InChIKey is WBYFUDAJPMHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2)10-13(8-9-18-16)15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole?
2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 3068969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).