ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate

C10H9NO3S — CID 61385344

IUPACethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccco2)cs1
InChIInChI=1S/C10H9NO3S/c1-2-13-10(12)9-11-7(6-15-9)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKeyPKCVXFJODDAMRW-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.58
Rot. Bonds3

About ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate

ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate (PubChem CID 61385344) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate
PubChem CID61385344
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Nameethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccco2)cs1
InChIInChI=1S/C10H9NO3S/c1-2-13-10(12)9-11-7(6-15-9)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKeyPKCVXFJODDAMRW-UHFFFAOYSA-N
XLogP2.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Furan-2-yl)-1,3-thiazol-2-amine
CID 727834
Ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]isoxazole-3-carboxylate
CID 2745311
2-Methyl-4-(5-nitro-2-furyl)thiazole
CID 40859
4-(5-Methylfuran-2-yl)-1,3-thiazol-2-amine
CID 2113305
(E)-3-Biphenyl-4-yl-2-(4-furan-2-yl-thiazol-2-yl)-acrylonitrile
CID 5913111
(E)-3-(4-Fluoro-phenyl)-2-(4-furan-2-yl-thiazol-2-yl)-acrylonitrile
CID 6053780
CID 75364199
CID 75364199
Acetic acid, oxo((4-(2-furanyl)-2-thiazolyl)amino)-, ethyl ester
CID 3068161
Acetic acid, oxo((4-(2-furanyl)-2-thiazolyl)amino)-
CID 3068162
4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole
CID 5303055
Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate
CID 335824
(5-(2-Methyl-1,3-thiazol-4-yl)furan-2-yl)methanamine
CID 7131884

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate (CID 61385344) is ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccco2)cs1.
What is the InChIKey of ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is PKCVXFJODDAMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-13-10(12)9-11-7(6-15-9)8-4-3-5-14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate?
ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 61385344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).