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

C14H14N2O6S — CID 804080

IUPACethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COC(=O)c2ccco2)nc1C
InChIInChI=1S/C14H14N2O6S/c1-3-20-13(19)11-8(2)15-14(23-11)16-10(17)7-22-12(18)9-5-4-6-21-9/h4-6H,3,7H2,1-2H3,(H,15,16,17)
InChIKeyFNVFIXGDJAXZBP-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.02
Rot. Bonds6

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

ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 804080) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID804080
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Nameethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COC(=O)c2ccco2)nc1C
InChIInChI=1S/C14H14N2O6S/c1-3-20-13(19)11-8(2)15-14(23-11)16-10(17)7-22-12(18)9-5-4-6-21-9/h4-6H,3,7H2,1-2H3,(H,15,16,17)
InChIKeyFNVFIXGDJAXZBP-UHFFFAOYSA-N
XLogP2.02
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl [2-(2-furoylamino)-1,3-thiazol-4-yl]acetate
CID 674924
2-(Furan-2-carboxamido)-4-methylthiazole-5-carboxylic acid
CID 1433387
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843725
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
Methyl 2-[2-(2-methoxyphenoxy)acetamido]-4-methyl-1,3-thiazole-5-carboxylate
CID 805985
Ethyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 868243
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 896577
Prop-2-enyl 2-(2-furylcarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2138175
Ethyl 2-{[(2-furoylamino)carbonothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2293436
Ethyl 4-methyl-2-{[2,2,2-trifluoro-1-(2-furoylamino)-1-(methoxycarbonyl)ethyl]amino}-1,3-thiazole-5-carboxylate
CID 3242223
Methyl 2-(furan-2-amido)-4-methyl-1,3-thiazole-5-carboxylate
CID 698162

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 804080) is ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COC(=O)c2ccco2)nc1C.
What is the InChIKey of ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FNVFIXGDJAXZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-3-20-13(19)11-8(2)15-14(23-11)16-10(17)7-22-12(18)9-5-4-6-21-9/h4-6H,3,7H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(furan-2-carbonyloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 804080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).