2-(3-methylphenyl)-1,3-thiazole-4,5-diol

C10H9NO2S — CID 174799020

IUPAC2-(3-methylphenyl)-1,3-thiazole-4,5-diol
SMILESCc1cccc(-c2nc(O)c(O)s2)c1
InChIInChI=1S/C10H9NO2S/c1-6-3-2-4-7(5-6)9-11-8(12)10(13)14-9/h2-5,12-13H,1H3
InChIKeyOVVBNSDIUUGMSM-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds1

About 2-(3-methylphenyl)-1,3-thiazole-4,5-diol

2-(3-methylphenyl)-1,3-thiazole-4,5-diol (PubChem CID 174799020) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3-thiazole-4,5-diol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,3-thiazole-4,5-diol
PubChem CID174799020
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-(3-methylphenyl)-1,3-thiazole-4,5-diol
SMILESCc1cccc(-c2nc(O)c(O)s2)c1
InChIInChI=1S/C10H9NO2S/c1-6-3-2-4-7(5-6)9-11-8(12)10(13)14-9/h2-5,12-13H,1H3
InChIKeyOVVBNSDIUUGMSM-UHFFFAOYSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3-thiazole-4,5-diol?
The IUPAC name of 2-(3-methylphenyl)-1,3-thiazole-4,5-diol (CID 174799020) is 2-(3-methylphenyl)-1,3-thiazole-4,5-diol.
What is the SMILES notation for 2-(3-methylphenyl)-1,3-thiazole-4,5-diol?
The canonical SMILES for 2-(3-methylphenyl)-1,3-thiazole-4,5-diol is Cc1cccc(-c2nc(O)c(O)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,3-thiazole-4,5-diol?
The InChIKey is OVVBNSDIUUGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-3-2-4-7(5-6)9-11-8(12)10(13)14-9/h2-5,12-13H,1H3.
What are the key properties of 2-(3-methylphenyl)-1,3-thiazole-4,5-diol?
2-(3-methylphenyl)-1,3-thiazole-4,5-diol has a molecular weight of 207.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,3-thiazole-4,5-diol is sourced from PubChem (CID 174799020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).