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

C10H7FN2OS — CID 122477272

IUPAC2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1sc(-c2ccc(F)cn2)nc1C=O
InChIInChI=1S/C10H7FN2OS/c1-6-9(5-14)13-10(15-6)8-3-2-7(11)4-12-8/h2-5H,1H3
InChIKeyZJPPOUPPYGBYIW-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.47
Rot. Bonds2

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

2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde (PubChem CID 122477272) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde
PubChem CID122477272
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1sc(-c2ccc(F)cn2)nc1C=O
InChIInChI=1S/C10H7FN2OS/c1-6-9(5-14)13-10(15-6)8-3-2-7(11)4-12-8/h2-5H,1H3
InChIKeyZJPPOUPPYGBYIW-UHFFFAOYSA-N
XLogP2.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
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 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde (CID 122477272) is 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde is Cc1sc(-c2ccc(F)cn2)nc1C=O.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is ZJPPOUPPYGBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS/c1-6-9(5-14)13-10(15-6)8-3-2-7(11)4-12-8/h2-5H,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde?
2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 122477272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).