ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate

C19H23N3O4S — CID 84556484

IUPACethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CC)C(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O4S/c1-3-22(11-10-17(24)26-4-2)18(25)15-13-27-19(20-15)21-16(23)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,21,23)
InChIKeyXBEJFWFZNAAABQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.74
Rot. Bonds9

About ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate

ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate (PubChem CID 84556484) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
PubChem CID84556484
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Nameethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CC)C(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O4S/c1-3-22(11-10-17(24)26-4-2)18(25)15-13-27-19(20-15)21-16(23)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,21,23)
InChIKeyXBEJFWFZNAAABQ-UHFFFAOYSA-N
XLogP2.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
CID 61012652
3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid
CID 84555488
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84557675
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
3-methyl-2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84555879
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate (CID 84556484) is ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate is CCOC(=O)CCN(CC)C(=O)c1csc(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate?
The InChIKey is XBEJFWFZNAAABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-22(11-10-17(24)26-4-2)18(25)15-13-27-19(20-15)21-16(23)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,21,23).
What are the key properties of ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate?
ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate has a molecular weight of 389.48 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 84556484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).