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

C8H6F3N3S — CID 174731377

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1cc(C(F)(F)F)nn1-c1nccs1
InChIInChI=1S/C8H6F3N3S/c1-5-4-6(8(9,10)11)13-14(5)7-12-2-3-15-7/h2-4H,1H3
InChIKeySVXNRMZIDMWWOM-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.66
Rot. Bonds1

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 174731377) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID174731377
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1cc(C(F)(F)F)nn1-c1nccs1
InChIInChI=1S/C8H6F3N3S/c1-5-4-6(8(9,10)11)13-14(5)7-12-2-3-15-7/h2-4H,1H3
InChIKeySVXNRMZIDMWWOM-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-methyl-
CID 388857
3-Trifluoromethyl-1-(2-thiazolyl)pyrazole
CID 122641792
N-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-2-thiazolamine
CID 565992
2-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 1482186
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 118016480
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 141431626
4-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740
1-Chloropentane;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 174877546
5-(1,1-Difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 176658729
1-(1,3-Thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 176658927
N,N-bis((3,5-dimethyl-1h-pyrazol-1-yl)methyl)thiazol-2-amine
CID 167531223

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 174731377) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is Cc1cc(C(F)(F)F)nn1-c1nccs1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is SVXNRMZIDMWWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-5-4-6(8(9,10)11)13-14(5)7-12-2-3-15-7/h2-4H,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 233.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 174731377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).