N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide

C23H34FN3O4S2 — CID 146613094

About N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide

N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 146613094) has the molecular formula C23H34FN3O4S2 and a molecular weight of 499.67 g/mol. Its IUPAC name is N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-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]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 146613094
• Molecular Formula: C23H34FN3O4S2
• Molecular Weight: 499.67 g/mol
• Exact Mass: 499.20
• IUPAC Name: N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: Cc1nc(C(C)(C)O)sc1S(N)(=O)=NC(=O)Cc1c(C(C)C)cc(OC(C)F)cc1C(C)C
• InChI: InChI=1S/C23H34FN3O4S2/c1-12(2)17-9-16(31-15(6)24)10-18(13(3)4)19(17)11-20(28)27-33(25,30)21-14(5)26-22(32-21)23(7,8)29/h9-10,12-13,15,29H,11H2,1-8H3,(H2,25,27,28,30)
• InChIKey: OVQSJBBJBAKJGC-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 114.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.67
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-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]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide (CID 146613094) is N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-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]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-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]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide is Cc1nc(C(C)(C)O)sc1S(N)(=O)=NC(=O)Cc1c(C(C)C)cc(OC(C)F)cc1C(C)C.

What is the InChIKey of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is OVQSJBBJBAKJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O4S2/c1-12(2)17-9-16(31-15(6)24)10-18(13(3)4)19(17)11-20(28)27-33(25,30)21-14(5)26-22(32-21)23(7,8)29/h9-10,12-13,15,29H,11H2,1-8H3,(H2,25,27,28,30).

What are the key properties of N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide?

N-[amino-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 499.67 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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]-oxo-λ6-sulfanylidene]-2-[4-(1-fluoroethoxy)-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 146613094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).