2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C9H10F3N3O4S — CID 166747315

IUPAC2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1csc(OC2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3O2S.C2HF3O2/c8-6(11)5-3-13-7(10-5)12-4-1-9-2-4;3-2(4,5)1(6)7/h3-4,9H,1-2H2,(H2,8,11);(H,6,7)
InChIKeyBCVAJNGDDWIDMA-UHFFFAOYSA-N
MW313.26 g/mol
LogP0.23
Rot. Bonds3

About 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166747315) has the molecular formula C9H10F3N3O4S and a molecular weight of 313.26 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166747315
Molecular FormulaC9H10F3N3O4S
Molecular Weight313.26 g/mol
Exact Mass313.03
IUPAC Name2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1csc(OC2CNC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3O2S.C2HF3O2/c8-6(11)5-3-13-7(10-5)12-4-1-9-2-4;3-2(4,5)1(6)7/h3-4,9H,1-2H2,(H2,8,11);(H,6,7)
InChIKeyBCVAJNGDDWIDMA-UHFFFAOYSA-N
XLogP0.23
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 166747315) is 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1csc(OC2CNC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BCVAJNGDDWIDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S.C2HF3O2/c8-6(11)5-3-13-7(10-5)12-4-1-9-2-4;3-2(4,5)1(6)7/h3-4,9H,1-2H2,(H2,8,11);(H,6,7).
What are the key properties of 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 313.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166747315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).