ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C27H38N6O4S4 — CID 143179842

About ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 143179842) has the molecular formula C27H38N6O4S4 and a molecular weight of 638.91 g/mol. Its IUPAC name is ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 143179842
• Molecular Formula: C27H38N6O4S4
• Molecular Weight: 638.91 g/mol
• Exact Mass: 638.18
• IUPAC Name: ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CC.CC.CCOC(=O)c1sc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)OCC)s4)n3)cs2)nc1C
• InChI: InChI=1S/C23H26N6O4S4.2C2H6/c1-7-32-17(30)15-11(3)24-21(36-15)28-19-26-13(9-34-19)23(5,6)14-10-35-20(27-14)29-22-25-12(4)16(37-22)18(31)33-8-2;2*1-2/h9-10H,7-8H2,1-6H3,(H,24,26,28)(H,25,27,29);2*1-2H3
• InChIKey: FPDIMBOMSWMUPC-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 128.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	638.91
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 143179842) is ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CC.CC.CCOC(=O)c1sc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)OCC)s4)n3)cs2)nc1C.

What is the InChIKey of ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is FPDIMBOMSWMUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S4.2C2H6/c1-7-32-17(30)15-11(3)24-21(36-15)28-19-26-13(9-34-19)23(5,6)14-10-35-20(27-14)29-22-25-12(4)16(37-22)18(31)33-8-2;2*1-2/h9-10H,7-8H2,1-6H3,(H,24,26,28)(H,25,27,29);2*1-2H3.

What are the key properties of ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 638.91 g/mol, XLogP of 8.35, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethyl 2-[[4-[2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 143179842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).