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

C7H5F3N4S — CID 131866574

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(-c2csc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C7H5F3N4S/c1-3-11-5(14-13-3)4-2-15-6(12-4)7(8,9)10/h2H,1H3,(H,11,13,14)
InChIKeySYYOQQLWLVBHMV-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.26
Rot. Bonds1

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

4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 131866574) has the molecular formula C7H5F3N4S and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID131866574
Molecular FormulaC7H5F3N4S
Molecular Weight234.21 g/mol
Exact Mass234.02
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(-c2csc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C7H5F3N4S/c1-3-11-5(14-13-3)4-2-15-6(12-4)7(8,9)10/h2H,1H3,(H,11,13,14)
InChIKeySYYOQQLWLVBHMV-UHFFFAOYSA-N
XLogP2.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 131866574) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is Cc1nc(-c2csc(C(F)(F)F)n2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SYYOQQLWLVBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4S/c1-3-11-5(14-13-3)4-2-15-6(12-4)7(8,9)10/h2H,1H3,(H,11,13,14).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 234.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 131866574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).