ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C19H23F2N3O5S — CID 87420005

About ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 87420005) has the molecular formula C19H23F2N3O5S and a molecular weight of 443.47 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
• PubChem CID: 87420005
• Molecular Formula: C19H23F2N3O5S
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.13
• IUPAC Name: ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1csc(NC(=O)c2cc(OC(C)C)nc(OC(CF)CF)c2)n1
• InChI: InChI=1S/C19H23F2N3O5S/c1-4-27-17(25)7-13-10-30-19(22-13)24-18(26)12-5-15(28-11(2)3)23-16(6-12)29-14(8-20)9-21/h5-6,10-11,14H,4,7-9H2,1-3H3,(H,22,24,26)
• InChIKey: ZPHZPKDQOSOFTC-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 99.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The IUPAC name of ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 87420005) is ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The canonical SMILES for ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(OC(C)C)nc(OC(CF)CF)c2)n1.

What is the InChIKey of ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The InChIKey is ZPHZPKDQOSOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O5S/c1-4-27-17(25)7-13-10-30-19(22-13)24-18(26)12-5-15(28-11(2)3)23-16(6-12)29-14(8-20)9-21/h5-6,10-11,14H,4,7-9H2,1-3H3,(H,22,24,26).

What are the key properties of ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 443.47 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 87420005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).