4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

C34H37N5O4S — CID 3192522

About 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3192522) has the molecular formula C34H37N5O4S and a molecular weight of 611.77 g/mol. Its IUPAC name is 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 3192522
• Molecular Formula: C34H37N5O4S
• Molecular Weight: 611.77 g/mol
• Exact Mass: 611.26
• IUPAC Name: 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
• SMILES: Cc1ccccc1N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(C(=O)NCCc1ccccc1)c1ccc(O)cc1
• InChI: InChI=1S/C34H37N5O4S/c1-22-10-8-9-15-27(22)39(34(43)31-28(35)29(38-44-31)32(41)37-25-13-6-3-7-14-25)30(24-16-18-26(40)19-17-24)33(42)36-21-20-23-11-4-2-5-12-23/h2,4-5,8-12,15-19,25,30,40H,3,6-7,13-14,20-21,35H2,1H3,(H,36,42)(H,37,41)
• InChIKey: BXNDXIWTKTYTNQ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 137.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.77
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 3192522) is 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is Cc1ccccc1N(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(C(=O)NCCc1ccccc1)c1ccc(O)cc1.

What is the InChIKey of 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is BXNDXIWTKTYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4S/c1-22-10-8-9-15-27(22)39(34(43)31-28(35)29(38-44-31)32(41)37-25-13-6-3-7-14-25)30(24-16-18-26(40)19-17-24)33(42)36-21-20-23-11-4-2-5-12-23/h2,4-5,8-12,15-19,25,30,40H,3,6-7,13-14,20-21,35H2,1H3,(H,36,42)(H,37,41).

What are the key properties of 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?

4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 611.77 g/mol, XLogP of 5.55, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-N-cyclohexyl-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3192522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).