2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole

C11H6F3N3S — CID 166360287

IUPAC2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)9-5-18-10(16-9)6-2-1-3-8-7(6)4-15-17-8/h1-5H,(H,15,17)
InChIKeyCDBPNHYSLDRGFO-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.71
Rot. Bonds1

About 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166360287) has the molecular formula C11H6F3N3S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166360287
Molecular FormulaC11H6F3N3S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C11H6F3N3S/c12-11(13,14)9-5-18-10(16-9)6-2-1-3-8-7(6)4-15-17-8/h1-5H,(H,15,17)
InChIKeyCDBPNHYSLDRGFO-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
3-(1H-indazol-4-yl)cinnoline
CID 123409262
CID 174665708
CID 174665708
3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 141217820
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 129352529
1H-indazol-4-amine;dihydrochloride
CID 18779330
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
CID 167962772
3-(1H-indazol-4-yl)-2,1-benzothiazole
CID 166359807
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
2-(1H-indazol-4-yl)quinazoline
CID 91393961
sodium;hydride;1H-indazole-4-thiol
CID 175160320

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 166360287) is 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2cccc3[nH]ncc23)n1.
What is the InChIKey of 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CDBPNHYSLDRGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3S/c12-11(13,14)9-5-18-10(16-9)6-2-1-3-8-7(6)4-15-17-8/h1-5H,(H,15,17).
What are the key properties of 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 269.25 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166360287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).