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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Related Compounds

N-methyl-1-[2-[(1E,3Z)-6,6,6-trifluoro-1-(methylideneamino)hexa-1,3-dien-2-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390600
5-[2-(Azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
CID 171093011
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
CID 106784192
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
CID 106784194
5-(5-Bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784469
4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784470
(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784471
(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784472
(E)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784473
(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784474
(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784475

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).