[2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol

C11H12N2O4S — CID 123938943

IUPAC[2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol
SMILESCOc1ccc(Nc2nc(C(O)O)cs2)c(O)c1
InChIInChI=1S/C11H12N2O4S/c1-17-6-2-3-7(9(14)4-6)12-11-13-8(5-18-11)10(15)16/h2-5,10,14-16H,1H3,(H,12,13)
InChIKeyOOOSQBLWAUZTEZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.58
Rot. Bonds4

About [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol

[2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol (PubChem CID 123938943) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol.

Molecular Properties

Compound Name[2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol
PubChem CID123938943
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name[2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol
SMILESCOc1ccc(Nc2nc(C(O)O)cs2)c(O)c1
InChIInChI=1S/C11H12N2O4S/c1-17-6-2-3-7(9(14)4-6)12-11-13-8(5-18-11)10(15)16/h2-5,10,14-16H,1H3,(H,12,13)
InChIKeyOOOSQBLWAUZTEZ-UHFFFAOYSA-N
XLogP1.58
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol?
The IUPAC name of [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol (CID 123938943) is [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol.
What is the SMILES notation for [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol?
The canonical SMILES for [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol is COc1ccc(Nc2nc(C(O)O)cs2)c(O)c1.
What is the InChIKey of [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol?
The InChIKey is OOOSQBLWAUZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-17-6-2-3-7(9(14)4-6)12-11-13-8(5-18-11)10(15)16/h2-5,10,14-16H,1H3,(H,12,13).
What are the key properties of [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol?
[2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol has a molecular weight of 268.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-4-methoxyanilino)-1,3-thiazol-4-yl]methanediol is sourced from PubChem (CID 123938943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).