[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

C27H35N3O4S — CID 24596831

About [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate (PubChem CID 24596831) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate.

Molecular Properties

• Compound Name: [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
• PubChem CID: 24596831
• Molecular Formula: C27H35N3O4S
• Molecular Weight: 497.66 g/mol
• Exact Mass: 497.23
• IUPAC Name: [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
• SMILES: CC(OC(=O)c1ccccc1C(=O)N(C)C1CCCCC1)C(=O)N(c1nccs1)C1CCCCC1
• InChI: InChI=1S/C27H35N3O4S/c1-19(24(31)30(27-28-17-18-35-27)21-13-7-4-8-14-21)34-26(33)23-16-10-9-15-22(23)25(32)29(2)20-11-5-3-6-12-20/h9-10,15-21H,3-8,11-14H2,1-2H3
• InChIKey: ZPIQOWAASVUFCJ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 79.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.66
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?

The IUPAC name of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate (CID 24596831) is [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate.

What is the SMILES notation for [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?

The canonical SMILES for [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate is CC(OC(=O)c1ccccc1C(=O)N(C)C1CCCCC1)C(=O)N(c1nccs1)C1CCCCC1.

What is the InChIKey of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?

The InChIKey is ZPIQOWAASVUFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-19(24(31)30(27-28-17-18-35-27)21-13-7-4-8-14-21)34-26(33)23-16-10-9-15-22(23)25(32)29(2)20-11-5-3-6-12-20/h9-10,15-21H,3-8,11-14H2,1-2H3.

What are the key properties of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?

[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate has a molecular weight of 497.66 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 24596831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).