4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde

C7H9NO2S — CID 129253671

IUPAC4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(CCO)c(C=O)s1
InChIInChI=1S/C7H9NO2S/c1-5-8-6(2-3-9)7(4-10)11-5/h4,9H,2-3H2,1H3
InChIKeyKPGPNERJABXWAS-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.80
Rot. Bonds3

About 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde

4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 129253671) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID129253671
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(CCO)c(C=O)s1
InChIInChI=1S/C7H9NO2S/c1-5-8-6(2-3-9)7(4-10)11-5/h4,9H,2-3H2,1H3
InChIKeyKPGPNERJABXWAS-UHFFFAOYSA-N
XLogP0.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde (CID 129253671) is 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(CCO)c(C=O)s1.
What is the InChIKey of 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is KPGPNERJABXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-8-6(2-3-9)7(4-10)11-5/h4,9H,2-3H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 171.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 129253671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).