5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde

C7H8FNOS — CID 84766428

IUPAC5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESCC(C)(F)c1cnc(C=O)s1
InChIInChI=1S/C7H8FNOS/c1-7(2,8)5-3-9-6(4-10)11-5/h3-4H,1-2H3
InChIKeyXRIQKDLCJVDVCX-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.16
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde

5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 84766428) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID84766428
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESCC(C)(F)c1cnc(C=O)s1
InChIInChI=1S/C7H8FNOS/c1-7(2,8)5-3-9-6(4-10)11-5/h3-4H,1-2H3
InChIKeyXRIQKDLCJVDVCX-UHFFFAOYSA-N
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.16
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 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde (CID 84766428) is 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde is CC(C)(F)c1cnc(C=O)s1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is XRIQKDLCJVDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-7(2,8)5-3-9-6(4-10)11-5/h3-4H,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde?
5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 173.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 84766428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).