4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol

C51H28ClF9N8O6S2 — CID 158439879

About 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol

4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol (PubChem CID 158439879) has the molecular formula C51H28ClF9N8O6S2 and a molecular weight of 1119.40 g/mol. Its IUPAC name is 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol
• PubChem CID: 158439879
• Molecular Formula: C51H28ClF9N8O6S2
• Molecular Weight: 1119.40 g/mol
• Exact Mass: 1118.11
• IUPAC Name: 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol
• SMILES: Oc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Oc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Oc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Oc1ccc(Cl)cc1-c1nc2cccnc2s1
• InChI: InChI=1S/2C13H7F3N2O2.C13H7F3N2OS.C12H7ClN2OS/c14-13(15,16)7-1-2-10(19)8(5-7)12-18-9-6-17-4-3-11(9)20-12;14-13(15,16)7-3-4-9(19)8(6-7)12-18-11-10(20-12)2-1-5-17-11;14-13(15,16)7-3-4-10(19)8(6-7)11-18-9-2-1-5-17-12(9)20-11;13-7-3-4-10(16)8(6-7)11-15-9-2-1-5-14-12(9)17-11/h3*1-6,19H;1-6,16H
• InChIKey: HCRLMOWTKBANQC-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 210.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.40
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol?

The IUPAC name of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol (CID 158439879) is 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol.

What is the SMILES notation for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol?

The canonical SMILES for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Oc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Oc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Oc1ccc(Cl)cc1-c1nc2cccnc2s1.

What is the InChIKey of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol?

The InChIKey is HCRLMOWTKBANQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H7F3N2O2.C13H7F3N2OS.C12H7ClN2OS/c14-13(15,16)7-1-2-10(19)8(5-7)12-18-9-6-17-4-3-11(9)20-12;14-13(15,16)7-3-4-9(19)8(6-7)12-18-11-10(20-12)2-1-5-17-11;14-13(15,16)7-3-4-10(19)8(6-7)11-18-9-2-1-5-17-12(9)20-11;13-7-3-4-10(16)8(6-7)11-15-9-2-1-5-14-12(9)17-11/h3*1-6,19H;1-6,16H.

What are the key properties of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol?

4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol has a molecular weight of 1119.40 g/mol, XLogP of 15.03, 4 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 158439879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).