N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide

C22H31F2N3O3S2 — CID 153389720

About N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide

N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 153389720) has the molecular formula C22H31F2N3O3S2 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 153389720
• Molecular Formula: C22H31F2N3O3S2
• Molecular Weight: 487.64 g/mol
• Exact Mass: 487.18
• IUPAC Name: N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: Cc1nc(C(C)(C)O)sc1/S(N)=N/C(=O)Cc1c(C(C)C)cc(OC(F)F)cc1C(C)C
• InChI: InChI=1S/C22H31F2N3O3S2/c1-11(2)15-8-14(30-21(23)24)9-16(12(3)4)17(15)10-18(28)27-32(25)19-13(5)26-20(31-19)22(6,7)29/h8-9,11-12,21,29H,10H2,1-7H3,(H2,25,27,28)
• InChIKey: WNFCVRNOVSYYBS-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 97.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.64
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide (CID 153389720) is N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide.

What is the SMILES notation for N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide?

The canonical SMILES for N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide is Cc1nc(C(C)(C)O)sc1/S(N)=N/C(=O)Cc1c(C(C)C)cc(OC(F)F)cc1C(C)C.

What is the InChIKey of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is WNFCVRNOVSYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O3S2/c1-11(2)15-8-14(30-21(23)24)9-16(12(3)4)17(15)10-18(28)27-32(25)19-13(5)26-20(31-19)22(6,7)29/h8-9,11-12,21,29H,10H2,1-7H3,(H2,25,27,28).

What are the key properties of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide?

N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 487.64 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-λ4-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 153389720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).