2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

C12H11F3N4O2S — CID 155092634

IUPAC2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(-c2nc3c(s2)CNCC3)nc1
InChIInChI=1S/C10H10N4S.C2HF3O2/c1-3-12-9(13-4-1)10-14-7-2-5-11-6-8(7)15-10;3-2(4,5)1(6)7/h1,3-4,11H,2,5-6H2;(H,6,7)
InChIKeyXFHNDMYQTFLOKD-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.88
Rot. Bonds1

About 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155092634) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155092634
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC Name2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(-c2nc3c(s2)CNCC3)nc1
InChIInChI=1S/C10H10N4S.C2HF3O2/c1-3-12-9(13-4-1)10-14-7-2-5-11-6-8(7)15-10;3-2(4,5)1(6)7/h1,3-4,11H,2,5-6H2;(H,6,7)
InChIKeyXFHNDMYQTFLOKD-UHFFFAOYSA-N
XLogP1.88
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 155092634) is 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc(-c2nc3c(s2)CNCC3)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is XFHNDMYQTFLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S.C2HF3O2/c1-3-12-9(13-4-1)10-14-7-2-5-11-6-8(7)15-10;3-2(4,5)1(6)7/h1,3-4,11H,2,5-6H2;(H,6,7).
What are the key properties of 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 332.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155092634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).