[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid

C9H8F3N3O3S — CID 140616582

IUPAC[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C9H8F3N3O3S/c10-9(11,12)6(16)15-2-1-4-5(3-15)19-7(13-4)14-8(17)18/h1-3H2,(H,13,14)(H,17,18)
InChIKeySCHPJHKNAFWZOS-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.68
Rot. Bonds1

About [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid

[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid (PubChem CID 140616582) has the molecular formula C9H8F3N3O3S and a molecular weight of 295.24 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid
PubChem CID140616582
Molecular FormulaC9H8F3N3O3S
Molecular Weight295.24 g/mol
Exact Mass295.02
IUPAC Name[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C9H8F3N3O3S/c10-9(11,12)6(16)15-2-1-4-5(3-15)19-7(13-4)14-8(17)18/h1-3H2,(H,13,14)(H,17,18)
InChIKeySCHPJHKNAFWZOS-UHFFFAOYSA-N
XLogP1.68
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid?
The IUPAC name of [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid (CID 140616582) is [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid.
What is the SMILES notation for [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid?
The canonical SMILES for [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid is O=C(O)Nc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2.
What is the InChIKey of [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid?
The InChIKey is SCHPJHKNAFWZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3S/c10-9(11,12)6(16)15-2-1-4-5(3-15)19-7(13-4)14-8(17)18/h1-3H2,(H,13,14)(H,17,18).
What are the key properties of [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid?
[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid has a molecular weight of 295.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 140616582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).