ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C13H14N2O4S — CID 1247675

IUPACethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccoc2C)n1
InChIInChI=1S/C13H14N2O4S/c1-3-18-11(16)6-9-7-20-13(14-9)15-12(17)10-4-5-19-8(10)2/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyLXNWRSJMFAGJHV-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1247675) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID1247675
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Nameethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccoc2C)n1
InChIInChI=1S/C13H14N2O4S/c1-3-18-11(16)6-9-7-20-13(14-9)15-12(17)10-4-5-19-8(10)2/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyLXNWRSJMFAGJHV-UHFFFAOYSA-N
XLogP2.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 1247675) is ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccoc2C)n1.
What is the InChIKey of ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is LXNWRSJMFAGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-3-18-11(16)6-9-7-20-13(14-9)15-12(17)10-4-5-19-8(10)2/h4-5,7H,3,6H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 294.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1247675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).