methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate

C9H7NO3S — CID 97034345

IUPACmethyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cscn2)o1
InChIInChI=1S/C9H7NO3S/c1-12-9(11)8-3-2-7(13-8)6-4-14-5-10-6/h2-5H,1H3
InChIKeyIQFRAMFYBNCWFJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.19
Rot. Bonds2

About methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate

methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate (PubChem CID 97034345) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
PubChem CID97034345
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Namemethyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cscn2)o1
InChIInChI=1S/C9H7NO3S/c1-12-9(11)8-3-2-7(13-8)6-4-14-5-10-6/h2-5H,1H3
InChIKeyIQFRAMFYBNCWFJ-UHFFFAOYSA-N
XLogP2.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate (CID 97034345) is methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2cscn2)o1.
What is the InChIKey of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
The InChIKey is IQFRAMFYBNCWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-12-9(11)8-3-2-7(13-8)6-4-14-5-10-6/h2-5H,1H3.
What are the key properties of methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate?
methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate is sourced from PubChem (CID 97034345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).