4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one

C14H11NO3S — CID 90699338

IUPAC4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(-c3ccccc3)o2)s1
InChIInChI=1S/C14H11NO3S/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-7,16H,8H2,(H,15,17)
InChIKeyXMJLBCOMWGRUAI-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.99
Rot. Bonds3

About 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 90699338) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID90699338
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(-c3ccccc3)o2)s1
InChIInChI=1S/C14H11NO3S/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-7,16H,8H2,(H,15,17)
InChIKeyXMJLBCOMWGRUAI-UHFFFAOYSA-N
XLogP2.99
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one (CID 90699338) is 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccc(-c3ccccc3)o2)s1.
What is the InChIKey of 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XMJLBCOMWGRUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-7,16H,8H2,(H,15,17).
What are the key properties of 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 273.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(5-phenylfuran-2-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90699338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).