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

C51H32ClF9N12O2S2 — CID 162163881

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

4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline (PubChem CID 162163881) has the molecular formula C51H32ClF9N12O2S2 and a molecular weight of 1115.47 g/mol. Its IUPAC name is 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
• PubChem CID: 162163881
• Molecular Formula: C51H32ClF9N12O2S2
• Molecular Weight: 1115.47 g/mol
• Exact Mass: 1114.18
• IUPAC Name: 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
• SMILES: Nc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Nc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Nc1ccc(Cl)cc1-c1nc2cccnc2s1
• InChI: InChI=1S/2C13H8F3N3O.C13H8F3N3S.C12H8ClN3S/c14-13(15,16)7-1-2-9(17)8(5-7)12-19-10-6-18-4-3-11(10)20-12;14-13(15,16)7-3-4-9(17)8(6-7)12-19-11-10(20-12)2-1-5-18-11;14-13(15,16)7-3-4-9(17)8(6-7)11-19-10-2-1-5-18-12(10)20-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11/h3*1-6H,17H2;1-6H,14H2
• InChIKey: ZMVZUJQYAKUBBD-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 233.48 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	1115.47
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline (CID 162163881) is 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline.

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

The canonical SMILES for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Nc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Nc1ccc(Cl)cc1-c1nc2cccnc2s1.

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

The InChIKey is ZMVZUJQYAKUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H8F3N3O.C13H8F3N3S.C12H8ClN3S/c14-13(15,16)7-1-2-9(17)8(5-7)12-19-10-6-18-4-3-11(10)20-12;14-13(15,16)7-3-4-9(17)8(6-7)12-19-11-10(20-12)2-1-5-18-11;14-13(15,16)7-3-4-9(17)8(6-7)11-19-10-2-1-5-18-12(10)20-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11/h3*1-6H,17H2;1-6H,14H2.

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

4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline has a molecular weight of 1115.47 g/mol, XLogP of 14.53, 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)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 162163881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).