4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole

C8H7F3N4S — CID 131868855

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCc1nc(-c2csc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C8H7F3N4S/c1-2-5-13-6(15-14-5)4-3-16-7(12-4)8(9,10)11/h3H,2H2,1H3,(H,13,14,15)
InChIKeyPTZCTCAROUSHKX-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.51
Rot. Bonds2

About 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 131868855) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID131868855
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCc1nc(-c2csc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C8H7F3N4S/c1-2-5-13-6(15-14-5)4-3-16-7(12-4)8(9,10)11/h3H,2H2,1H3,(H,13,14,15)
InChIKeyPTZCTCAROUSHKX-UHFFFAOYSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 131868855) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is CCc1nc(-c2csc(C(F)(F)F)n2)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PTZCTCAROUSHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-2-5-13-6(15-14-5)4-3-16-7(12-4)8(9,10)11/h3H,2H2,1H3,(H,13,14,15).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 248.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 131868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).