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

C12H10FNOS — CID 105496053

IUPAC5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1-c1cccc(F)c1
InChIInChI=1S/C12H10FNOS/c1-2-10-12(14-11(7-15)16-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKeyAWIVSUALBRSFLT-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.32
Rot. Bonds3

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

5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 105496053) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID105496053
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1-c1cccc(F)c1
InChIInChI=1S/C12H10FNOS/c1-2-10-12(14-11(7-15)16-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKeyAWIVSUALBRSFLT-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
1-(5-Methyl-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 4616789
2-Phenyl-1,3-thiazole-4-carbaldehyde
CID 736524
1-[2-(2,4-Difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 2806145
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone oxime
CID 9581906
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 8964238
4-Phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
4-Methyl-2,5-diphenyl-1,3-thiazole
CID 8962252
1-[2-(2-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 2995869
4-(4-Methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 3614025
2-(4-Fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 7131928
1-(4-Phenyl-1,3-thiazol-2-yl)ethan-1-one
CID 12263622

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde (CID 105496053) is 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde is CCc1sc(C=O)nc1-c1cccc(F)c1.
What is the InChIKey of 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is AWIVSUALBRSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-2-10-12(14-11(7-15)16-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3.
What are the key properties of 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde?
5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 235.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-fluorophenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105496053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).