2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole

C7H6F3NS — CID 67774798

IUPAC2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole
SMILESFC(F)(F)C1CC1c1nccs1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)5-3-4(5)6-11-1-2-12-6/h1-2,4-5H,3H2
InChIKeyQHPZJKVFBJOFNL-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.81
Rot. Bonds1

About 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole

2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole (PubChem CID 67774798) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole
PubChem CID67774798
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole
SMILESFC(F)(F)C1CC1c1nccs1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)5-3-4(5)6-11-1-2-12-6/h1-2,4-5H,3H2
InChIKeyQHPZJKVFBJOFNL-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole?
The IUPAC name of 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole (CID 67774798) is 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole is FC(F)(F)C1CC1c1nccs1.
What is the InChIKey of 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole?
The InChIKey is QHPZJKVFBJOFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c8-7(9,10)5-3-4(5)6-11-1-2-12-6/h1-2,4-5H,3H2.
What are the key properties of 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole?
2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole has a molecular weight of 193.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)cyclopropyl]-1,3-thiazole is sourced from PubChem (CID 67774798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).