5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole

C8H7F3N2S — CID 106784091

IUPAC5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CCNC2)s1
InChIInChI=1S/C8H7F3N2S/c9-8(10,11)7-13-4-6(14-7)5-1-2-12-3-5/h1,4,12H,2-3H2
InChIKeyIZHSDHONFGNMSR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.15
Rot. Bonds1

About 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784091) has the molecular formula C8H7F3N2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784091
Molecular FormulaC8H7F3N2S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CCNC2)s1
InChIInChI=1S/C8H7F3N2S/c9-8(10,11)7-13-4-6(14-7)5-1-2-12-3-5/h1,4,12H,2-3H2
InChIKeyIZHSDHONFGNMSR-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784091) is 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2=CCNC2)s1.
What is the InChIKey of 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IZHSDHONFGNMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2S/c9-8(10,11)7-13-4-6(14-7)5-1-2-12-3-5/h1,4,12H,2-3H2.
What are the key properties of 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 220.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).