3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol

C23H19NOS — CID 15006904

IUPAC3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol
SMILESOc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1
InChIInChI=1S/C23H19NOS/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-13,16,25H,14-15H2
InChIKeyDHCIDABYVHTUDK-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.97
Rot. Bonds5

About 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol

3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol (PubChem CID 15006904) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol
PubChem CID15006904
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol
SMILESOc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1
InChIInChI=1S/C23H19NOS/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-13,16,25H,14-15H2
InChIKeyDHCIDABYVHTUDK-UHFFFAOYSA-N
XLogP5.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol?
The IUPAC name of 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol (CID 15006904) is 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol is Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1.
What is the InChIKey of 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol?
The InChIKey is DHCIDABYVHTUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-13,16,25H,14-15H2.
What are the key properties of 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol?
3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol has a molecular weight of 357.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-diphenyl-1,3-thiazol-2-yl)ethyl]phenol is sourced from PubChem (CID 15006904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).