4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

C26H35N5O4S — CID 3182135

About 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3182135) has the molecular formula C26H35N5O4S and a molecular weight of 513.66 g/mol. Its IUPAC name is 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 3182135
• Molecular Formula: C26H35N5O4S
• Molecular Weight: 513.66 g/mol
• Exact Mass: 513.24
• IUPAC Name: 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)cc1
• InChI: InChI=1S/C26H35N5O4S/c1-35-20-13-11-17(12-14-20)15-31(16-21(32)28-18-9-5-6-10-18)26(34)24-22(27)23(30-36-24)25(33)29-19-7-3-2-4-8-19/h11-14,18-19H,2-10,15-16,27H2,1H3,(H,28,32)(H,29,33)
• InChIKey: GWNBGLCUJLFCBW-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 126.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.66
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (CID 3182135) is 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)cc1.

What is the InChIKey of 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is GWNBGLCUJLFCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4S/c1-35-20-13-11-17(12-14-20)15-31(16-21(32)28-18-9-5-6-10-18)26(34)24-22(27)23(30-36-24)25(33)29-19-7-3-2-4-8-19/h11-14,18-19H,2-10,15-16,27H2,1H3,(H,28,32)(H,29,33).

What are the key properties of 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 513.66 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3182135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).