2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol

C19H19ClN2OS — CID 5270996

IUPAC2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H19ClN2OS/c1-22(10-11-23)12-14-2-4-15(5-3-14)18-13-24-19(21-18)16-6-8-17(20)9-7-16/h2-9,13,23H,10-12H2,1H3
InChIKeyHYXUEISKKFOQOH-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.55
Rot. Bonds6

About 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol

2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol (PubChem CID 5270996) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol
PubChem CID5270996
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H19ClN2OS/c1-22(10-11-23)12-14-2-4-15(5-3-14)18-13-24-19(21-18)16-6-8-17(20)9-7-16/h2-9,13,23H,10-12H2,1H3
InChIKeyHYXUEISKKFOQOH-UHFFFAOYSA-N
XLogP4.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol (CID 5270996) is 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol is CN(CCO)Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol?
The InChIKey is HYXUEISKKFOQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-22(10-11-23)12-14-2-4-15(5-3-14)18-13-24-19(21-18)16-6-8-17(20)9-7-16/h2-9,13,23H,10-12H2,1H3.
What are the key properties of 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol?
2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol has a molecular weight of 358.89 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol is sourced from PubChem (CID 5270996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).