ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C12H12N2O4S — CID 674924

IUPACethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16)
InChIKeyVPHWFQOJVRPSKQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.09
Rot. Bonds5

About ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 674924) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID674924
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Nameethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16)
InChIKeyVPHWFQOJVRPSKQ-UHFFFAOYSA-N
XLogP2.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide
CID 896250
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
CID 4653584
2-(Furan-2-carboxamido)-4-methylthiazole-5-carboxylic acid
CID 1433387
N-(4-methyl-1,3-thiazol-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 4791237
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 2532639
1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5094501
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] furan-2-carboxylate
CID 16279122
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-furamide
CID 843094
methyl 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-N-2-furoylalaninate
CID 3236054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 674924) is ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is VPHWFQOJVRPSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16).
What are the key properties of ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 280.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 674924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).