2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one

C10H10N2O2S — CID 753487

IUPAC2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)CS1)c1ccc(O)cc1
InChIInChI=1S/C10H10N2O2S/c1-12(10-11-9(14)6-15-10)7-2-4-8(13)5-3-7/h2-5,13H,6H2,1H3
InChIKeyVLRZTUWWTUBKBF-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.46
Rot. Bonds1

About 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one

2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one (PubChem CID 753487) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one
PubChem CID753487
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)CS1)c1ccc(O)cc1
InChIInChI=1S/C10H10N2O2S/c1-12(10-11-9(14)6-15-10)7-2-4-8(13)5-3-7/h2-5,13H,6H2,1H3
InChIKeyVLRZTUWWTUBKBF-UHFFFAOYSA-N
XLogP1.46
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
The IUPAC name of 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one (CID 753487) is 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one is CN(C1=NC(=O)CS1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
The InChIKey is VLRZTUWWTUBKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-12(10-11-9(14)6-15-10)7-2-4-8(13)5-3-7/h2-5,13H,6H2,1H3.
What are the key properties of 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one?
2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one has a molecular weight of 222.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-methylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 753487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).