6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H6F2N2OS — CID 3391017

IUPAC6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)c(F)c2)nc2sccn12
InChIInChI=1S/C12H6F2N2OS/c13-8-2-1-7(5-9(8)14)11-10(6-17)16-3-4-18-12(16)15-11/h1-6H
InChIKeyXYUUVPVUNNSUDS-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.15
Rot. Bonds2

About 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 3391017) has the molecular formula C12H6F2N2OS and a molecular weight of 264.26 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID3391017
Molecular FormulaC12H6F2N2OS
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)c(F)c2)nc2sccn12
InChIInChI=1S/C12H6F2N2OS/c13-8-2-1-7(5-9(8)14)11-10(6-17)16-3-4-18-12(16)15-11/h1-6H
InChIKeyXYUUVPVUNNSUDS-UHFFFAOYSA-N
XLogP3.15
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
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 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 3391017) is 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2ccc(F)c(F)c2)nc2sccn12.
What is the InChIKey of 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is XYUUVPVUNNSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2OS/c13-8-2-1-7(5-9(8)14)11-10(6-17)16-3-4-18-12(16)15-11/h1-6H.
What are the key properties of 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 264.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 3391017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).