2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide

C19H15F5N6O4S — CID 166792599

About 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide

2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 166792599) has the molecular formula C19H15F5N6O4S and a molecular weight of 518.42 g/mol. Its IUPAC name is 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

• Compound Name: 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
• PubChem CID: 166792599
• Molecular Formula: C19H15F5N6O4S
• Molecular Weight: 518.42 g/mol
• Exact Mass: 518.08
• IUPAC Name: 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
• SMILES: CC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccc(OC(F)F)nc2)s1
• InChI: InChI=1S/C19H15F5N6O4S/c1-8(16(26)32)30(10-3-5-12(28-7-10)34-19(22,23)24)18-29-15(25)14(35-18)13(31)9-2-4-11(27-6-9)33-17(20)21/h2-8,17H,25H2,1H3,(H2,26,32)
• InChIKey: HZKPUZAPKAZYHS-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 146.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.42
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?

The IUPAC name of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide (CID 166792599) is 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide.

What is the SMILES notation for 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?

The canonical SMILES for 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide is CC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccc(OC(F)F)nc2)s1.

What is the InChIKey of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?

The InChIKey is HZKPUZAPKAZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N6O4S/c1-8(16(26)32)30(10-3-5-12(28-7-10)34-19(22,23)24)18-29-15(25)14(35-18)13(31)9-2-4-11(27-6-9)33-17(20)21/h2-8,17H,25H2,1H3,(H2,26,32).

What are the key properties of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?

2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 518.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).