3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole

C11H8ClF3N2S — CID 166657357

IUPAC3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1c(-c2ccc(Cl)cn2)nsc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2S/c1-2-7-9(8-4-3-6(12)5-16-8)17-18-10(7)11(13,14)15/h3-5H,2H2,1H3
InChIKeyIHLWAADXEPZREQ-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.44
Rot. Bonds2

About 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole

3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 166657357) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
PubChem CID166657357
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCCc1c(-c2ccc(Cl)cn2)nsc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2S/c1-2-7-9(8-4-3-6(12)5-16-8)17-18-10(7)11(13,14)15/h3-5H,2H2,1H3
InChIKeyIHLWAADXEPZREQ-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-thiazole
CID 137655879
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
CID 3401037
10-(3-Chloro-4-pyridyl)-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2 inverted exclamation mark,1 inverted exclamation mark-f][1,3,2]diazaborinin-4-ium-5-uide
CID 139176234
2-(5-Chloro-2-thienyl)-5-methylpyridine
CID 49761803
3-Chloro-2-(2-thienylmethyl)-5-(trifluoromethyl)pyridine
CID 1483165
3-Chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine
CID 19068735
2-(3-Chloro-2-methylpyridin-4-yl)-5-ethyl-4-(trifluoromethyl)-1,3-thiazole
CID 20275337
3,5-Dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine
CID 20677250
3-Chloro-2-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridine
CID 20732075
3-Chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine
CID 20822476
3-Chloro-5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine
CID 20822488
3-Chloro-2-(pyridin-3-yl)-5-(trifluoromethyl)pyridine
CID 46315375

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole (CID 166657357) is 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole is CCc1c(-c2ccc(Cl)cn2)nsc1C(F)(F)F.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is IHLWAADXEPZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c1-2-7-9(8-4-3-6(12)5-16-8)17-18-10(7)11(13,14)15/h3-5H,2H2,1H3.
What are the key properties of 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole?
3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 292.71 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-4-ethyl-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 166657357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).