ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate

C20H24N4O5S — CID 90655326

IUPACethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CNC(=O)c2ccc(N3CCOCC3)cc2)nc1C
InChIInChI=1S/C20H24N4O5S/c1-3-29-19(27)17-13(2)22-20(30-17)23-16(25)12-21-18(26)14-4-6-15(7-5-14)24-8-10-28-11-9-24/h4-7H,3,8-12H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyBPCZASDFVPXCGM-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.83
Rot. Bonds7

About ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 90655326) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID90655326
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Nameethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CNC(=O)c2ccc(N3CCOCC3)cc2)nc1C
InChIInChI=1S/C20H24N4O5S/c1-3-29-19(27)17-13(2)22-20(30-17)23-16(25)12-21-18(26)14-4-6-15(7-5-14)24-8-10-28-11-9-24/h4-7H,3,8-12H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyBPCZASDFVPXCGM-UHFFFAOYSA-N
XLogP1.83
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

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ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
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ethyl 2-[3-[(3-hydroxy-5-methoxycarbonylbenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate (CID 90655326) is ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CNC(=O)c2ccc(N3CCOCC3)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BPCZASDFVPXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-3-29-19(27)17-13(2)22-20(30-17)23-16(25)12-21-18(26)14-4-6-15(7-5-14)24-8-10-28-11-9-24/h4-7H,3,8-12H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-[(4-morpholin-4-ylbenzoyl)amino]acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90655326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).