2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

C10H8NO3S- — CID 3450410

IUPAC2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESO=C([O-])C1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/p-1
InChIKeyCECDPVOEINSAQG-UHFFFAOYSA-M
MW222.25 g/mol
LogP0.00
Rot. Bonds2

About 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 3450410) has the molecular formula C10H8NO3S- and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID3450410
Molecular FormulaC10H8NO3S-
Molecular Weight222.25 g/mol
Exact Mass222.02
IUPAC Name2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESO=C([O-])C1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/p-1
InChIKeyCECDPVOEINSAQG-UHFFFAOYSA-M
XLogP0.00
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 3450410) is 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is O=C([O-])C1CSC(c2ccccc2O)=N1.
What is the InChIKey of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is CECDPVOEINSAQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/p-1.
What are the key properties of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3450410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).