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

C6H7NO2S — CID 86811561

IUPAC2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde
SMILESCC(O)c1ncc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-4(9)6-7-2-5(3-8)10-6/h2-4,9H,1H3
InChIKeyORNOGKBIVRRYLG-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.01
Rot. Bonds2

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

2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 86811561) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID86811561
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde
SMILESCC(O)c1ncc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-4(9)6-7-2-5(3-8)10-6/h2-4,9H,1H3
InChIKeyORNOGKBIVRRYLG-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

alpha,5-Dimethyl-2-thiazolemethanol
CID 46785227
2-Methyl-1,3-thiazole-5-carbaldehyde
CID 13934728
2-Methoxy-1,3-thiazole-5-carbaldehyde
CID 16494769
2-(Hydroxymethyl)-1,3-thiazole-5-carboxylic acid
CID 22025292
2-(Propan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 45083848
2-(Methoxymethyl)thiazole-5-carbaldehyde
CID 45121687
2-Ethyl-1,3-thiazole-5-carbaldehyde
CID 45121743
2-Tert-butyl-1,3-thiazole-5-carbaldehyde
CID 45792401
2-(2-Methylpropyl)-1,3-thiazole-5-carbaldehyde
CID 61282885
2-(1-Methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 71755411
2-(1,1-Difluoroethyl)-1,3-thiazole-5-carbaldehyde
CID 84767280
Ethyl 5-formyl-1,3-thiazole-2-carboxylate
CID 89313391

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde (CID 86811561) is 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde is CC(O)c1ncc(C=O)s1.
What is the InChIKey of 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ORNOGKBIVRRYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(9)6-7-2-5(3-8)10-6/h2-4,9H,1H3.
What are the key properties of 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde?
2-(1-hydroxyethyl)-1,3-thiazole-5-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 2-(1-hydroxyethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 86811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).