5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde

C14H8FNOS2 — CID 122635770

IUPAC5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C14H8FNOS2/c15-10-3-1-9(2-4-10)14-16-12(8-18-14)13-6-5-11(7-17)19-13/h1-8H
InChIKeyBBLGYOVDWVHFEY-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.49
Rot. Bonds3

About 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde

5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde (PubChem CID 122635770) has the molecular formula C14H8FNOS2 and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde
PubChem CID122635770
Molecular FormulaC14H8FNOS2
Molecular Weight289.36 g/mol
Exact Mass289.00
IUPAC Name5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C14H8FNOS2/c15-10-3-1-9(2-4-10)14-16-12(8-18-14)13-6-5-11(7-17)19-13/h1-8H
InChIKeyBBLGYOVDWVHFEY-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
2-Phenyl-1,3-thiazole-4-carbaldehyde
CID 736524
N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7522068
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127045643
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047376
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047377
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzamide
CID 2738828
N-{2-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 8056971
N-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 127046713
Phenyl(2-phenyl-4-thiazolyl)methanone
CID 25259514
(2-Fluorophenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 25259516

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde (CID 122635770) is 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde?
The InChIKey is BBLGYOVDWVHFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNOS2/c15-10-3-1-9(2-4-10)14-16-12(8-18-14)13-6-5-11(7-17)19-13/h1-8H.
What are the key properties of 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde?
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde has a molecular weight of 289.36 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 122635770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).