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

C6H3F3N4S — CID 62946282

IUPAC2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C6H3F3N4S/c7-6(8,9)3-1-14-5(12-3)4-10-2-11-13-4/h1-2H,(H,10,11,13)
InChIKeyYTKVRCDKORMDES-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.95
Rot. Bonds1

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

2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 62946282) has the molecular formula C6H3F3N4S and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID62946282
Molecular FormulaC6H3F3N4S
Molecular Weight220.18 g/mol
Exact Mass220.00
IUPAC Name2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C6H3F3N4S/c7-6(8,9)3-1-14-5(12-3)4-10-2-11-13-4/h1-2H,(H,10,11,13)
InChIKeyYTKVRCDKORMDES-UHFFFAOYSA-N
XLogP1.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 62946282) is 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2ncn[nH]2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YTKVRCDKORMDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4S/c7-6(8,9)3-1-14-5(12-3)4-10-2-11-13-4/h1-2H,(H,10,11,13).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 220.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 62946282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).