4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol

C10H9NO3S — CID 136889589

IUPAC4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESOCc1csc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C10H9NO3S/c12-4-7-5-15-10(11-7)6-1-2-8(13)9(14)3-6/h1-3,5,12-14H,4H2
InChIKeyVZULZNYWRSABQN-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.71
Rot. Bonds2

About 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol

4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol (PubChem CID 136889589) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
PubChem CID136889589
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
SMILESOCc1csc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C10H9NO3S/c12-4-7-5-15-10(11-7)6-1-2-8(13)9(14)3-6/h1-3,5,12-14H,4H2
InChIKeyVZULZNYWRSABQN-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 155289704
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889178
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
[2-(3-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 90982425
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol (CID 136889589) is 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol is OCc1csc(-c2ccc(O)c(O)c2)n1.
What is the InChIKey of 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
The InChIKey is VZULZNYWRSABQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-4-7-5-15-10(11-7)6-1-2-8(13)9(14)3-6/h1-3,5,12-14H,4H2.
What are the key properties of 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol?
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol has a molecular weight of 223.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol is sourced from PubChem (CID 136889589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).