2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole

C7H4F3N3S — CID 10798896

IUPAC2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2nccs2)[nH]1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)4-3-12-5(13-4)6-11-1-2-14-6/h1-3H,(H,12,13)
InChIKeyKNMQKNPQMFSWNQ-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.55
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole

2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 10798896) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID10798896
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2nccs2)[nH]1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)4-3-12-5(13-4)6-11-1-2-14-6/h1-3H,(H,12,13)
InChIKeyKNMQKNPQMFSWNQ-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
5-(1,3-thiazol-2-yl)-1H-imidazol-4-amine;hydrochloride
CID 172455369
2-(1H-imidazol-4-yl)-1,3-thiazole
CID 53773131
1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118785908
1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[3-(1,3-thiazol-2-yl)propyl]guanidine
CID 13499363
N-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N'-[2-(2-thiazolylmethylthio)ethyl]guanidine
CID 13499375
N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59728200
5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 69921520
2-[1-[(1-Ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 69991067
2-[5-(difluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 89878550
5-[5-(difluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 89878551
2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 90054393

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 10798896) is 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cnc(-c2nccs2)[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is KNMQKNPQMFSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)4-3-12-5(13-4)6-11-1-2-14-6/h1-3H,(H,12,13).
What are the key properties of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 219.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 10798896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).