[3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

C23H19F2N5O2S2 — CID 121477040

About [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

[3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 121477040) has the molecular formula C23H19F2N5O2S2 and a molecular weight of 499.57 g/mol. Its IUPAC name is [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
• PubChem CID: 121477040
• Molecular Formula: C23H19F2N5O2S2
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.09
• IUPAC Name: [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
• SMILES: Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CC(Oc5ccc(F)cc5F)C4)cn3)n2)s1
• InChI: InChI=1S/C23H19F2N5O2S2/c1-12-21(34-13(2)27-12)18-11-33-23(28-18)29-20-6-3-14(8-26-20)22(31)30-9-16(10-30)32-19-5-4-15(24)7-17(19)25/h3-8,11,16H,9-10H2,1-2H3,(H,26,28,29)
• InChIKey: AJXYEUYBUXCKBO-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

The IUPAC name of [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (CID 121477040) is [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

What is the SMILES notation for [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

The canonical SMILES for [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CC(Oc5ccc(F)cc5F)C4)cn3)n2)s1.

What is the InChIKey of [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

The InChIKey is AJXYEUYBUXCKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2S2/c1-12-21(34-13(2)27-12)18-11-33-23(28-18)29-20-6-3-14(8-26-20)22(31)30-9-16(10-30)32-19-5-4-15(24)7-17(19)25/h3-8,11,16H,9-10H2,1-2H3,(H,26,28,29).

What are the key properties of [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?

[3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 499.57 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 121477040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).