2-(trifluoromethyl)-1,3-thiazole

C4H2F3NS — CID 21281824

IUPAC2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nccs1
InChIInChI=1S/C4H2F3NS/c5-4(6,7)3-8-1-2-9-3/h1-2H
InChIKeyXMXXKSHWUKNLPQ-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.16
Rot. Bonds

About 2-(trifluoromethyl)-1,3-thiazole

2-(trifluoromethyl)-1,3-thiazole (PubChem CID 21281824) has the molecular formula C4H2F3NS and a molecular weight of 153.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole
PubChem CID21281824
Molecular FormulaC4H2F3NS
Molecular Weight153.13 g/mol
Exact Mass152.99
IUPAC Name2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nccs1
InChIInChI=1S/C4H2F3NS/c5-4(6,7)3-8-1-2-9-3/h1-2H
InChIKeyXMXXKSHWUKNLPQ-UHFFFAOYSA-N
XLogP2.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole (CID 21281824) is 2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nccs1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XMXXKSHWUKNLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NS/c5-4(6,7)3-8-1-2-9-3/h1-2H.
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole?
2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 153.13 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 21281824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).