4-(fluoromethyl)-4,5-dihydro-1,3-thiazole

C4H6FNS — CID 173379042

IUPAC4-(fluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESFCC1CSC=N1
InChIInChI=1S/C4H6FNS/c5-1-4-2-7-3-6-4/h3-4H,1-2H2
InChIKeyUFQCRWKVESDEQS-UHFFFAOYSA-N
MW119.16 g/mol
LogP1.10
Rot. Bonds1

About 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole

4-(fluoromethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 173379042) has the molecular formula C4H6FNS and a molecular weight of 119.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(fluoromethyl)-4,5-dihydro-1,3-thiazole
PubChem CID173379042
Molecular FormulaC4H6FNS
Molecular Weight119.16 g/mol
Exact Mass119.02
IUPAC Name4-(fluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESFCC1CSC=N1
InChIInChI=1S/C4H6FNS/c5-1-4-2-7-3-6-4/h3-4H,1-2H2
InChIKeyUFQCRWKVESDEQS-UHFFFAOYSA-N
XLogP1.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole (CID 173379042) is 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole is FCC1CSC=N1.
What is the InChIKey of 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is UFQCRWKVESDEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNS/c5-1-4-2-7-3-6-4/h3-4H,1-2H2.
What are the key properties of 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole?
4-(fluoromethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 119.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 173379042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).