2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol

C17H21NO2S — CID 80685288

IUPAC2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCC1(c2nc(CC(O)c3ccccc3)cs2)CCCCO1
InChIInChI=1S/C17H21NO2S/c1-17(9-5-6-10-20-17)16-18-14(12-21-16)11-15(19)13-7-3-2-4-8-13/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3
InChIKeyLBQALULCCDGGEZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.83
Rot. Bonds4

About 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol

2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol (PubChem CID 80685288) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
PubChem CID80685288
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCC1(c2nc(CC(O)c3ccccc3)cs2)CCCCO1
InChIInChI=1S/C17H21NO2S/c1-17(9-5-6-10-20-17)16-18-14(12-21-16)11-15(19)13-7-3-2-4-8-13/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3
InChIKeyLBQALULCCDGGEZ-UHFFFAOYSA-N
XLogP3.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol (CID 80685288) is 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol is CC1(c2nc(CC(O)c3ccccc3)cs2)CCCCO1.
What is the InChIKey of 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
The InChIKey is LBQALULCCDGGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-17(9-5-6-10-20-17)16-18-14(12-21-16)11-15(19)13-7-3-2-4-8-13/h2-4,7-8,12,15,19H,5-6,9-11H2,1H3.
What are the key properties of 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol has a molecular weight of 303.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 80685288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).