4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde

C5H3F2NOS — CID 83854660

IUPAC4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cs1
InChIInChI=1S/C5H3F2NOS/c6-5(7)3-2-10-4(1-9)8-3/h1-2,5H
InChIKeyRYITYDUCHQKXQB-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.89
Rot. Bonds2

About 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde

4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 83854660) has the molecular formula C5H3F2NOS and a molecular weight of 163.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID83854660
Molecular FormulaC5H3F2NOS
Molecular Weight163.15 g/mol
Exact Mass162.99
IUPAC Name4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cs1
InChIInChI=1S/C5H3F2NOS/c6-5(7)3-2-10-4(1-9)8-3/h1-2,5H
InChIKeyRYITYDUCHQKXQB-UHFFFAOYSA-N
XLogP1.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde (CID 83854660) is 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde is O=Cc1nc(C(F)F)cs1.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is RYITYDUCHQKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NOS/c6-5(7)3-2-10-4(1-9)8-3/h1-2,5H.
What are the key properties of 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde?
4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 163.15 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 83854660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).