5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole

C9H8F3N3S — CID 169163793

IUPAC5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole
SMILESCc1cnc(-c2cnn(CC(F)(F)F)c2)s1
InChIInChI=1S/C9H8F3N3S/c1-6-2-13-8(16-6)7-3-14-15(4-7)5-9(10,11)12/h2-4H,5H2,1H3
InChIKeyYGMRRTNBOOPLAY-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.88
Rot. Bonds2

About 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole

5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole (PubChem CID 169163793) has the molecular formula C9H8F3N3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole
PubChem CID169163793
Molecular FormulaC9H8F3N3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole
SMILESCc1cnc(-c2cnn(CC(F)(F)F)c2)s1
InChIInChI=1S/C9H8F3N3S/c1-6-2-13-8(16-6)7-3-14-15(4-7)5-9(10,11)12/h2-4H,5H2,1H3
InChIKeyYGMRRTNBOOPLAY-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole (CID 169163793) is 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole is Cc1cnc(-c2cnn(CC(F)(F)F)c2)s1.
What is the InChIKey of 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole?
The InChIKey is YGMRRTNBOOPLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c1-6-2-13-8(16-6)7-3-14-15(4-7)5-9(10,11)12/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole?
5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole has a molecular weight of 247.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 169163793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).