4-(fluoromethyl)-1,3-thiazole

C4H4FNS — CID 76551954

IUPAC4-(fluoromethyl)-1,3-thiazole
SMILESFCc1cscn1
InChIInChI=1S/C4H4FNS/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKeyYEWHDPQAQNFWLA-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.61
Rot. Bonds1

About 4-(fluoromethyl)-1,3-thiazole

4-(fluoromethyl)-1,3-thiazole (PubChem CID 76551954) has the molecular formula C4H4FNS and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-thiazole
PubChem CID76551954
Molecular FormulaC4H4FNS
Molecular Weight117.15 g/mol
Exact Mass117.00
IUPAC Name4-(fluoromethyl)-1,3-thiazole
SMILESFCc1cscn1
InChIInChI=1S/C4H4FNS/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKeyYEWHDPQAQNFWLA-UHFFFAOYSA-N
XLogP1.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
4-(2,2,2-trichloroethyl)-1,3-thiazole
CID 90764072
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
1,3-thiazol-4-ylmethylsulfanylmethanamine
CID 130369230
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
4-(1,3-thiazol-4-ylmethyl)phenol
CID 23553308
4-(cyclopentylmethyl)-1,3-thiazole
CID 174863673
4-heptyl-1,3-thiazole;octane
CID 91422595
4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole
CID 142639749
4-(dimethylphosphoryloxymethyl)-1,3-thiazole
CID 123710075
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(fluoromethyl)-1,3-thiazole (CID 76551954) is 4-(fluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(fluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(fluoromethyl)-1,3-thiazole is FCc1cscn1.
What is the InChIKey of 4-(fluoromethyl)-1,3-thiazole?
The InChIKey is YEWHDPQAQNFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNS/c5-1-4-2-7-3-6-4/h2-3H,1H2.
What are the key properties of 4-(fluoromethyl)-1,3-thiazole?
4-(fluoromethyl)-1,3-thiazole has a molecular weight of 117.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-thiazole is sourced from PubChem (CID 76551954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).