1,3-thiazol-4-ylmethanediol

C4H5NO2S — CID 59870088

IUPAC1,3-thiazol-4-ylmethanediol
SMILESOC(O)c1cscn1
InChIInChI=1S/C4H5NO2S/c6-4(7)3-1-8-2-5-3/h1-2,4,6-7H
InChIKeyGIZDOMQPWSDZIA-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.13
Rot. Bonds1

About 1,3-thiazol-4-ylmethanediol

1,3-thiazol-4-ylmethanediol (PubChem CID 59870088) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethanediol.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethanediol
PubChem CID59870088
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name1,3-thiazol-4-ylmethanediol
SMILESOC(O)c1cscn1
InChIInChI=1S/C4H5NO2S/c6-4(7)3-1-8-2-5-3/h1-2,4,6-7H
InChIKeyGIZDOMQPWSDZIA-UHFFFAOYSA-N
XLogP0.13
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanol
CID 131205899
phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
1,3-thiazol-4-yl(thiophen-2-yl)methanol
CID 78923935
bis(1,3-thiazol-4-yl)methylhydrazine
CID 130679105
1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 130729566
2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
CID 131156691
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
CID 58051737
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
4-[(2S,3E,5E)-4,5-dichlorohepta-3,5-dien-2-yl]-1,3-thiazole
CID 163794224

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethanediol?
The IUPAC name of 1,3-thiazol-4-ylmethanediol (CID 59870088) is 1,3-thiazol-4-ylmethanediol.
What is the SMILES notation for 1,3-thiazol-4-ylmethanediol?
The canonical SMILES for 1,3-thiazol-4-ylmethanediol is OC(O)c1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylmethanediol?
The InChIKey is GIZDOMQPWSDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-4(7)3-1-8-2-5-3/h1-2,4,6-7H.
What are the key properties of 1,3-thiazol-4-ylmethanediol?
1,3-thiazol-4-ylmethanediol has a molecular weight of 131.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethanediol is sourced from PubChem (CID 59870088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).