4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde

C14H15FN2OS — CID 55112745

IUPAC4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(CC)c2ccc(F)cc2)sc1C=O
InChIInChI=1S/C14H15FN2OS/c1-3-12-13(9-18)19-14(16-12)17(4-2)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeySABJELZOOPJSTB-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.82
Rot. Bonds5

About 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde

4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 55112745) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID55112745
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(CC)c2ccc(F)cc2)sc1C=O
InChIInChI=1S/C14H15FN2OS/c1-3-12-13(9-18)19-14(16-12)17(4-2)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeySABJELZOOPJSTB-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.82
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 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde (CID 55112745) is 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde is CCc1nc(N(CC)c2ccc(F)cc2)sc1C=O.
What is the InChIKey of 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is SABJELZOOPJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-3-12-13(9-18)19-14(16-12)17(4-2)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde?
4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 278.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55112745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).