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

C23H26N6O4S4 — CID 59707887

IUPACethyl 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
SMILESCCOC(=O)c1sc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)OCC)s4)n3)cs2)nc1C
InChIInChI=1S/C23H26N6O4S4/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/h9-10H,7-8H2,1-6H3,(H,24,26,28)(H,25,27,29)
InChIKeyCCDUZHKJVAUONZ-UHFFFAOYSA-N
MW578.77 g/mol
LogP6.30
Rot. Bonds10

About 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

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 59707887) has the molecular formula C23H26N6O4S4 and a molecular weight of 578.77 g/mol. Its IUPAC name is 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 Nameethyl 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 CID59707887
Molecular FormulaC23H26N6O4S4
Molecular Weight578.77 g/mol
Exact Mass578.09
IUPAC Nameethyl 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
SMILESCCOC(=O)c1sc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)OCC)s4)n3)cs2)nc1C
InChIInChI=1S/C23H26N6O4S4/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/h9-10H,7-8H2,1-6H3,(H,24,26,28)(H,25,27,29)
InChIKeyCCDUZHKJVAUONZ-UHFFFAOYSA-N
XLogP6.30
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500578.77
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-methyl-2-[[4-[2-[2-(1,3-thiazol-2-ylamino)-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 59707821
1-[2-[[4-[2-[2-[(5-Acetyl-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-thiazol-5-yl]ethanone
CID 59707885
Diethyl 17,17-dimethyl-4,10,14,20-tetrathia-2,12,21,22,23,24-hexazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,11(23),13(22),15,18-octaene-5,9-dicarboxylate
CID 136600225
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

Frequently Asked Questions

What is the IUPAC name of 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 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 59707887) is 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 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 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 CCOC(=O)c1sc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)OCC)s4)n3)cs2)nc1C.
What is the InChIKey of 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 CCDUZHKJVAUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S4/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/h9-10H,7-8H2,1-6H3,(H,24,26,28)(H,25,27,29).
What are the key properties of 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?
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 578.77 g/mol, XLogP of 6.30, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 59707887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).