2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole

C8H8FN3S — CID 89257125

IUPAC2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole
SMILESCc1nn(C)c(-c2nccs2)c1F
InChIInChI=1S/C8H8FN3S/c1-5-6(9)7(12(2)11-5)8-10-3-4-13-8/h3-4H,1-2H3
InChIKeyHMCSUVBHQQGHQZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.99
Rot. Bonds1

About 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole

2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole (PubChem CID 89257125) has the molecular formula C8H8FN3S and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole
PubChem CID89257125
Molecular FormulaC8H8FN3S
Molecular Weight197.24 g/mol
Exact Mass197.04
IUPAC Name2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole
SMILESCc1nn(C)c(-c2nccs2)c1F
InChIInChI=1S/C8H8FN3S/c1-5-6(9)7(12(2)11-5)8-10-3-4-13-8/h3-4H,1-2H3
InChIKeyHMCSUVBHQQGHQZ-UHFFFAOYSA-N
XLogP1.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole (CID 89257125) is 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole is Cc1nn(C)c(-c2nccs2)c1F.
What is the InChIKey of 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole?
The InChIKey is HMCSUVBHQQGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S/c1-5-6(9)7(12(2)11-5)8-10-3-4-13-8/h3-4H,1-2H3.
What are the key properties of 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole?
2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole has a molecular weight of 197.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 89257125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).