ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole

C13H22F3N3S — CID 142389546

IUPACethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC.CC.Cc1ccn[nH]1.Cc1scnc1C(F)(F)F
InChIInChI=1S/C5H4F3NS.C4H6N2.2C2H6/c1-3-4(5(6,7)8)9-2-10-3;1-4-2-3-5-6-4;2*1-2/h2H,1H3;2-3H,1H3,(H,5,6);2*1-2H3
InChIKeySYJOZVFLDXHIPZ-UHFFFAOYSA-N
MW309.40 g/mol
LogP5.24
Rot. Bonds

About ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole

ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 142389546) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID142389546
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Nameethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC.CC.Cc1ccn[nH]1.Cc1scnc1C(F)(F)F
InChIInChI=1S/C5H4F3NS.C4H6N2.2C2H6/c1-3-4(5(6,7)8)9-2-10-3;1-4-2-3-5-6-4;2*1-2/h2H,1H3;2-3H,1H3,(H,5,6);2*1-2H3
InChIKeySYJOZVFLDXHIPZ-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 142389546) is ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole is CC.CC.Cc1ccn[nH]1.Cc1scnc1C(F)(F)F.
What is the InChIKey of ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SYJOZVFLDXHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS.C4H6N2.2C2H6/c1-3-4(5(6,7)8)9-2-10-3;1-4-2-3-5-6-4;2*1-2/h2H,1H3;2-3H,1H3,(H,5,6);2*1-2H3.
What are the key properties of ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole?
ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 309.40 g/mol, XLogP of 5.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-pyrazole;5-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 142389546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).