2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile

C6H3F3N2S — CID 22496052

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H3F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1H2
InChIKeyDEYWGGKDOKCYST-UHFFFAOYSA-N
MW192.16 g/mol
LogP2.23
Rot. Bonds1

About 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 22496052) has the molecular formula C6H3F3N2S and a molecular weight of 192.16 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID22496052
Molecular FormulaC6H3F3N2S
Molecular Weight192.16 g/mol
Exact Mass192.00
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H3F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1H2
InChIKeyDEYWGGKDOKCYST-UHFFFAOYSA-N
XLogP2.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile (CID 22496052) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile is N#CCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is DEYWGGKDOKCYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2S/c7-6(8,9)4-3-12-5(11-4)1-2-10/h3H,1H2.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 192.16 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 22496052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).