2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide

C23H27N3O2S2 — CID 38094090

About 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 38094090) has the molecular formula C23H27N3O2S2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
• PubChem CID: 38094090
• Molecular Formula: C23H27N3O2S2
• Molecular Weight: 441.62 g/mol
• Exact Mass: 441.15
• IUPAC Name: 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
• SMILES: Cc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1
• InChI: InChI=1S/C23H27N3O2S2/c1-16-5-7-18(8-6-16)23-21(30-17(2)25-23)14-22(27)24-15-19(20-4-3-13-29-20)26-9-11-28-12-10-26/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,27)/t19-/m1/s1
• InChIKey: HPABNQRIMADGHF-LJQANCHMSA-N
• XLogP: 4.22
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.62
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide (CID 38094090) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide.

What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1.

What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

The InChIKey is HPABNQRIMADGHF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N3O2S2/c1-16-5-7-18(8-6-16)23-21(30-17(2)25-23)14-22(27)24-15-19(20-4-3-13-29-20)26-9-11-28-12-10-26/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,27)/t19-/m1/s1.

What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 441.62 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 38094090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).