1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

C10H8F3N3OS — CID 81319669

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1ncc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)7-2-1-3-8(17)16(7)5-6-4-15-9(14)18-6/h1-4H,5H2,(H2,14,15)
InChIKeyYRUXJKHAKWXLJZ-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.95
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319669) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319669
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNc1ncc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)7-2-1-3-8(17)16(7)5-6-4-15-9(14)18-6/h1-4H,5H2,(H2,14,15)
InChIKeyYRUXJKHAKWXLJZ-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319669) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is Nc1ncc(Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is YRUXJKHAKWXLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)7-2-1-3-8(17)16(7)5-6-4-15-9(14)18-6/h1-4H,5H2,(H2,14,15).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 275.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).