5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde

C5H4FNOS — CID 84762875

IUPAC5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(CF)s1
InChIInChI=1S/C5H4FNOS/c6-1-4-2-7-5(3-8)9-4/h2-3H,1H2
InChIKeySWILUSOEJRIVRN-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.43
Rot. Bonds2

About 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde

5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 84762875) has the molecular formula C5H4FNOS and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID84762875
Molecular FormulaC5H4FNOS
Molecular Weight145.16 g/mol
Exact Mass145.00
IUPAC Name5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(CF)s1
InChIInChI=1S/C5H4FNOS/c6-1-4-2-7-5(3-8)9-4/h2-3H,1H2
InChIKeySWILUSOEJRIVRN-UHFFFAOYSA-N
XLogP1.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-one
CID 529396
5-Methyl-1,3-thiazole-2-carbaldehyde
CID 13968795
2-Methyl-1,3-thiazole-5-carbaldehyde
CID 13934728
2-(Trifluoromethyl)-1,3-thiazole-5-carboxaldehyde
CID 17750413
5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
2-Ethyl-1,3-thiazole-5-carbaldehyde
CID 45121743
5-(Trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CID 53418329
5-(Propan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 75480714
5-((Dimethylamino)methyl)-1,3-thiazole-2-carbaldehyde
CID 119030950
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
5-((Methylsulfanyl)methyl)-1,3-thiazole-2-carbaldehyde
CID 119056807
2-(3,3,3-Trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde (CID 84762875) is 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(CF)s1.
What is the InChIKey of 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is SWILUSOEJRIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNOS/c6-1-4-2-7-5(3-8)9-4/h2-3H,1H2.
What are the key properties of 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde?
5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 84762875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).