2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide

C19H18F5N3O4S — CID 177305849

About 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide

2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 177305849) has the molecular formula C19H18F5N3O4S and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
• PubChem CID: 177305849
• Molecular Formula: C19H18F5N3O4S
• Molecular Weight: 479.43 g/mol
• Exact Mass: 479.09
• IUPAC Name: 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
• SMILES: COc1c([C@H]2[C@H](C(=O)Nc3nc(C(N)=O)cs3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
• InChI: InChI=1S/C19H18F5N3O4S/c1-7-11(8-4-5-9(20)12(21)13(8)30-3)14(31-18(7,2)19(22,23)24)16(29)27-17-26-10(6-32-17)15(25)28/h4-7,11,14H,1-3H3,(H2,25,28)(H,26,27,29)/t7-,11-,14+,18+/m0/s1
• InChIKey: AYKOGBJXVWZYJT-SKUQUJRJSA-N
• XLogP: 3.61
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.43
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide (CID 177305849) is 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3nc(C(N)=O)cs3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.

What is the InChIKey of 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?

The InChIKey is AYKOGBJXVWZYJT-SKUQUJRJSA-N. The full InChI is InChI=1S/C19H18F5N3O4S/c1-7-11(8-4-5-9(20)12(21)13(8)30-3)14(31-18(7,2)19(22,23)24)16(29)27-17-26-10(6-32-17)15(25)28/h4-7,11,14H,1-3H3,(H2,25,28)(H,26,27,29)/t7-,11-,14+,18+/m0/s1.

What are the key properties of 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?

2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 479.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177305849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).