2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid

C10H11F3N2O2S — CID 170993017

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESC1=C(c2nccs2)CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10N2S.C2HF3O2/c1-3-9-4-2-7(1)8-10-5-6-11-8;3-2(4,5)1(6)7/h1,5-6,9H,2-4H2;(H,6,7)
InChIKeyXCKSVQRCQWQTEY-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.15
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid

2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 170993017) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID170993017
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESC1=C(c2nccs2)CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10N2S.C2HF3O2/c1-3-9-4-2-7(1)8-10-5-6-11-8;3-2(4,5)1(6)7/h1,5-6,9H,2-4H2;(H,6,7)
InChIKeyXCKSVQRCQWQTEY-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 170993017) is 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid is C1=C(c2nccs2)CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is XCKSVQRCQWQTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.C2HF3O2/c1-3-9-4-2-7(1)8-10-5-6-11-8;3-2(4,5)1(6)7/h1,5-6,9H,2-4H2;(H,6,7).
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid?
2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 280.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170993017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).