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

C9H10F3N3O3S — CID 155092599

IUPAC4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1nc2c(s1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3OS.C2HF3O2/c8-6(11)7-10-4-1-2-9-3-5(4)12-7;3-2(4,5)1(6)7/h9H,1-3H2,(H2,8,11);(H,6,7)
InChIKeyHJEYWQGQPUUXBJ-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.52
Rot. Bonds1

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

4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155092599) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155092599
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1nc2c(s1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3OS.C2HF3O2/c8-6(11)7-10-4-1-2-9-3-5(4)12-7;3-2(4,5)1(6)7/h9H,1-3H2,(H2,8,11);(H,6,7)
InChIKeyHJEYWQGQPUUXBJ-UHFFFAOYSA-N
XLogP0.52
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155092599) is 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1nc2c(s1)CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HJEYWQGQPUUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS.C2HF3O2/c8-6(11)7-10-4-1-2-9-3-5(4)12-7;3-2(4,5)1(6)7/h9H,1-3H2,(H2,8,11);(H,6,7).
What are the key properties of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 297.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155092599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).