5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde

C9H5F2NO2S — CID 125451939

IUPAC5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnc(C(F)F)s2)o1
InChIInChI=1S/C9H5F2NO2S/c10-8(11)9-12-3-7(15-9)6-2-1-5(4-13)14-6/h1-4,8H
InChIKeyGKBXZIIUOBEQCE-UHFFFAOYSA-N
MW229.21 g/mol
LogP3.15
Rot. Bonds3

About 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde

5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde (PubChem CID 125451939) has the molecular formula C9H5F2NO2S and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde
PubChem CID125451939
Molecular FormulaC9H5F2NO2S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnc(C(F)F)s2)o1
InChIInChI=1S/C9H5F2NO2S/c10-8(11)9-12-3-7(15-9)6-2-1-5(4-13)14-6/h1-4,8H
InChIKeyGKBXZIIUOBEQCE-UHFFFAOYSA-N
XLogP3.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 53.15
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 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde (CID 125451939) is 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2cnc(C(F)F)s2)o1.
What is the InChIKey of 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
The InChIKey is GKBXZIIUOBEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2S/c10-8(11)9-12-3-7(15-9)6-2-1-5(4-13)14-6/h1-4,8H.
What are the key properties of 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde?
5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde has a molecular weight of 229.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]furan-2-carbaldehyde is sourced from PubChem (CID 125451939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).