[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate

C10H8N2O4S — CID 23745766

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nccs1
InChIInChI=1S/C10H8N2O4S/c13-8(12-10-11-3-5-17-10)6-16-9(14)7-2-1-4-15-7/h1-5H,6H2,(H,11,12,13)
InChIKeyYEFBTZXMPPGJTC-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.53
Rot. Bonds4

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate (PubChem CID 23745766) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
PubChem CID23745766
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nccs1
InChIInChI=1S/C10H8N2O4S/c13-8(12-10-11-3-5-17-10)6-16-9(14)7-2-1-4-15-7/h1-5H,6H2,(H,11,12,13)
InChIKeyYEFBTZXMPPGJTC-UHFFFAOYSA-N
XLogP1.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate (CID 23745766) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
The InChIKey is YEFBTZXMPPGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c13-8(12-10-11-3-5-17-10)6-16-9(14)7-2-1-4-15-7/h1-5H,6H2,(H,11,12,13).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate has a molecular weight of 252.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate is sourced from PubChem (CID 23745766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).