5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde

C6H7NO2S — CID 59331383

IUPAC5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(O)c1cnc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-4(9)5-2-7-6(3-8)10-5/h2-4,9H,1H3
InChIKeyJSYDCUWOVYIYKJ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.01
Rot. Bonds2

About 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde

5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 59331383) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID59331383
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(O)c1cnc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-4(9)5-2-7-6(3-8)10-5/h2-4,9H,1H3
InChIKeyJSYDCUWOVYIYKJ-UHFFFAOYSA-N
XLogP1.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
5-(Propan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 75480714
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
1-(2-Chloro-thiazol-5-yl)-ethanol
CID 68056647
5-Thiazolemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 57620095
2-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 59331314
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 67315405
(1R)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 67402219
(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 67402757
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxamide
CID 69594396
Ethanone, 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-thiazolyl]-
CID 71294264

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde (CID 59331383) is 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde is CC(O)c1cnc(C=O)s1.
What is the InChIKey of 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is JSYDCUWOVYIYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(9)5-2-7-6(3-8)10-5/h2-4,9H,1H3.
What are the key properties of 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 157.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 59331383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).