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

C10H6FNOS — CID 123747540

IUPAC5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1ncsc1-c1cccc(F)c1
InChIInChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-9(5-13)12-6-14-10/h1-6H
InChIKeyXTWCLEKJCZAKIJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.76
Rot. Bonds2

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

5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 123747540) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID123747540
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1ncsc1-c1cccc(F)c1
InChIInChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-9(5-13)12-6-14-10/h1-6H
InChIKeyXTWCLEKJCZAKIJ-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.76
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

5-(3-fluorophenyl)-2H-triazole-4-carbaldehyde
CID 82377894
2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
CID 131870663
4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
CID 116900284
5-(3-fluorophenyl)thiophene-2-carbaldehyde
CID 3578053
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758
(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 174618396
5-(3-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbaldehyde
CID 82221315
[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
CID 23726035
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde (CID 123747540) is 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1ncsc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is XTWCLEKJCZAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-9(5-13)12-6-14-10/h1-6H.
What are the key properties of 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde?
5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 123747540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).