ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate

C18H15FN2O5S — CID 78772620

IUPACethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1
InChIInChI=1S/C18H15FN2O5S/c1-2-24-17(23)14-10-27-18(20-14)21-16(22)15-8-7-13(26-15)9-25-12-5-3-11(19)4-6-12/h3-8,10H,2,9H2,1H3,(H,20,21,22)
InChIKeyAKGWMAJQOCDJTL-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.88
Rot. Bonds7

About ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 78772620) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID78772620
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Nameethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1
InChIInChI=1S/C18H15FN2O5S/c1-2-24-17(23)14-10-27-18(20-14)21-16(22)15-8-7-13(26-15)9-25-12-5-3-11(19)4-6-12/h3-8,10H,2,9H2,1H3,(H,20,21,22)
InChIKeyAKGWMAJQOCDJTL-UHFFFAOYSA-N
XLogP3.88
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 41163900
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824534
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[2-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19458910
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413105
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19452519
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 78772620) is ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n1.
What is the InChIKey of ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is AKGWMAJQOCDJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c1-2-24-17(23)14-10-27-18(20-14)21-16(22)15-8-7-13(26-15)9-25-12-5-3-11(19)4-6-12/h3-8,10H,2,9H2,1H3,(H,20,21,22).
What are the key properties of ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 390.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78772620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).