N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C25H26N4O2S2 — CID 46679015

About N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 46679015) has the molecular formula C25H26N4O2S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 46679015
• Molecular Formula: C25H26N4O2S2
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.15
• IUPAC Name: N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccccc1N(C(C)=O)c1nc(CSc2nccn2-c2ccc(C(C)C)cc2)cs1
• InChI: InChI=1S/C25H26N4O2S2/c1-17(2)19-9-11-21(12-10-19)28-14-13-26-24(28)32-15-20-16-33-25(27-20)29(18(3)30)22-7-5-6-8-23(22)31-4/h5-14,16-17H,15H2,1-4H3
• InChIKey: SAUYMKUJFJECFC-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 46679015) is N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is COc1ccccc1N(C(C)=O)c1nc(CSc2nccn2-c2ccc(C(C)C)cc2)cs1.

What is the InChIKey of N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is SAUYMKUJFJECFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S2/c1-17(2)19-9-11-21(12-10-19)28-14-13-26-24(28)32-15-20-16-33-25(27-20)29(18(3)30)22-7-5-6-8-23(22)31-4/h5-14,16-17H,15H2,1-4H3.

What are the key properties of N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 478.64 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46679015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).