ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate

C17H19FN2O4S — CID 155592308

IUPACethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)=O)sc1CCCOc1ccccc1F
InChIInChI=1S/C17H19FN2O4S/c1-3-23-16(22)15-14(25-17(20-15)19-11(2)21)9-6-10-24-13-8-5-4-7-12(13)18/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,19,20,21)
InChIKeyPFROCFUDTOYRSZ-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.43
Rot. Bonds8

About ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate

ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate (PubChem CID 155592308) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate
PubChem CID155592308
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Nameethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)=O)sc1CCCOc1ccccc1F
InChIInChI=1S/C17H19FN2O4S/c1-3-23-16(22)15-14(25-17(20-15)19-11(2)21)9-6-10-24-13-8-5-4-7-12(13)18/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,19,20,21)
InChIKeyPFROCFUDTOYRSZ-UHFFFAOYSA-N
XLogP3.43
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 16015295
Ethyl 2-{[(4-fluorophenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 727311
Ethyl 2-(((4-chlorophenoxy)acetyl)amino)-5-methyl-1,3-thiazole-4-carboxylate
CID 4109843
Methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 805894
Methyl 3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propanoate
CID 4521586
Ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559825
Ethyl 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 139229523
Ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 139229524
Ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 139229525
Ethyl 2-{[2-(4-methoxyphenoxy)propanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2789610

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate (CID 155592308) is ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(C)=O)sc1CCCOc1ccccc1F.
What is the InChIKey of ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate?
The InChIKey is PFROCFUDTOYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-23-16(22)15-14(25-17(20-15)19-11(2)21)9-6-10-24-13-8-5-4-7-12(13)18/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate?
ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5-[3-(2-fluorophenoxy)propyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155592308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).