ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate

C24H31N5O4S4 — CID 24897573

About ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 24897573) has the molecular formula C24H31N5O4S4 and a molecular weight of 581.81 g/mol. Its IUPAC name is ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 24897573
• Molecular Formula: C24H31N5O4S4
• Molecular Weight: 581.81 g/mol
• Exact Mass: 581.13
• IUPAC Name: ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc([C@@H]2CSC(c3csc(-c4csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n4)n3)N2)n1
• InChI: InChI=1S/C24H31N5O4S4/c1-7-32-22(30)16-11-36-20(28-16)14-9-34-18(26-14)13-8-35-19(25-13)15-10-37-21(27-15)17(12(2)3)29-23(31)33-24(4,5)6/h8,10-12,14,17-18,26H,7,9H2,1-6H3,(H,29,31)/t14-,17-,18?/m0/s1
• InChIKey: OVISMNMOTDWHMI-LNJPMGEZSA-N
• XLogP: 6.20
• TPSA: 115.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	581.81
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate (CID 24897573) is ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@@H]2CSC(c3csc(-c4csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n4)n3)N2)n1.

What is the InChIKey of ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is OVISMNMOTDWHMI-LNJPMGEZSA-N. The full InChI is InChI=1S/C24H31N5O4S4/c1-7-32-22(30)16-11-36-20(28-16)14-9-34-18(26-14)13-8-35-19(25-13)15-10-37-21(27-15)17(12(2)3)29-23(31)33-24(4,5)6/h8,10-12,14,17-18,26H,7,9H2,1-6H3,(H,29,31)/t14-,17-,18?/m0/s1.

What are the key properties of ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate?

ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 581.81 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(4S)-2-[2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 24897573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).