ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate

C18H18N4O4S — CID 87315179

IUPACethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccccc2-c2cnc[nH]2)n1
InChIInChI=1S/C18H18N4O4S/c1-2-25-17(24)7-12-10-27-18(21-12)22-16(23)9-26-15-6-4-3-5-13(15)14-8-19-11-20-14/h3-6,8,10-11H,2,7,9H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyYWJKVCZRVLFCPG-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.66
Rot. Bonds8

About ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 87315179) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID87315179
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Nameethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccccc2-c2cnc[nH]2)n1
InChIInChI=1S/C18H18N4O4S/c1-2-25-17(24)7-12-10-27-18(21-12)22-16(23)9-26-15-6-4-3-5-13(15)14-8-19-11-20-14/h3-6,8,10-11H,2,7,9H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyYWJKVCZRVLFCPG-UHFFFAOYSA-N
XLogP2.66
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
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[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
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methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[(2-phenoxyacetyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
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[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 87315179) is ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccccc2-c2cnc[nH]2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YWJKVCZRVLFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-2-25-17(24)7-12-10-27-18(21-12)22-16(23)9-26-15-6-4-3-5-13(15)14-8-19-11-20-14/h3-6,8,10-11H,2,7,9H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 386.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[2-(1H-imidazol-5-yl)phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 87315179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).