4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde

C6H7FN2O2S — CID 139394052

IUPAC4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCC(O)Nc1nc(F)c(C=O)s1
InChIInChI=1S/C6H7FN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2-3,11H,1H3,(H,8,9)
InChIKeyYOZBDTCLYDKTKM-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.84
Rot. Bonds3

About 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde

4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 139394052) has the molecular formula C6H7FN2O2S and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID139394052
Molecular FormulaC6H7FN2O2S
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCC(O)Nc1nc(F)c(C=O)s1
InChIInChI=1S/C6H7FN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2-3,11H,1H3,(H,8,9)
InChIKeyYOZBDTCLYDKTKM-UHFFFAOYSA-N
XLogP0.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde (CID 139394052) is 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde is CC(O)Nc1nc(F)c(C=O)s1.
What is the InChIKey of 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is YOZBDTCLYDKTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2-3,11H,1H3,(H,8,9).
What are the key properties of 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde?
4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 139394052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).