[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate

C15H11NO5S2 — CID 7267907

IUPAC[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate
SMILESCc1csc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)n1
InChIInChI=1S/C15H11NO5S2/c1-9-7-22-15(16-9)23-8-10-5-11(17)13(6-20-10)21-14(18)12-3-2-4-19-12/h2-7H,8H2,1H3
InChIKeyQZEYNNZTKGJVBP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.51
Rot. Bonds5

About [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate

[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate (PubChem CID 7267907) has the molecular formula C15H11NO5S2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate
PubChem CID7267907
Molecular FormulaC15H11NO5S2
Molecular Weight349.39 g/mol
Exact Mass349.01
IUPAC Name[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate
SMILESCc1csc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)n1
InChIInChI=1S/C15H11NO5S2/c1-9-7-22-15(16-9)23-8-10-5-11(17)13(6-20-10)21-14(18)12-3-2-4-19-12/h2-7H,8H2,1H3
InChIKeyQZEYNNZTKGJVBP-UHFFFAOYSA-N
XLogP3.51
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate?
The IUPAC name of [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate (CID 7267907) is [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate.
What is the SMILES notation for [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate?
The canonical SMILES for [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate is Cc1csc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)n1.
What is the InChIKey of [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate?
The InChIKey is QZEYNNZTKGJVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5S2/c1-9-7-22-15(16-9)23-8-10-5-11(17)13(6-20-10)21-14(18)12-3-2-4-19-12/h2-7H,8H2,1H3.
What are the key properties of [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate?
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] furan-2-carboxylate is sourced from PubChem (CID 7267907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).