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

C15H18ClNOS — CID 12005552

IUPAC2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride
SMILESCC1CC(c2nc(-c3ccccc3)cs2)CCO1.Cl
InChIInChI=1S/C15H17NOS.ClH/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;1H
InChIKeyIFQJHKGHMYJCSG-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.51
Rot. Bonds2

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

2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride (PubChem CID 12005552) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride
PubChem CID12005552
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride
SMILESCC1CC(c2nc(-c3ccccc3)cs2)CCO1.Cl
InChIInChI=1S/C15H17NOS.ClH/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;1H
InChIKeyIFQJHKGHMYJCSG-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.51
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;hydrochloride?
The IUPAC name of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride (CID 12005552) is 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride is CC1CC(c2nc(-c3ccccc3)cs2)CCO1.Cl.
What is the InChIKey of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride?
The InChIKey is IFQJHKGHMYJCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.ClH/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;1H.
What are the key properties of 2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride?
2-(2-methyloxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 4.51, 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;hydrochloride is sourced from PubChem (CID 12005552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).