1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C9H7F3N4OS — CID 63280211

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)5-1-2-7(17)16(3-5)4-6-8(13)18-15-14-6/h1-3H,4,13H2
InChIKeyDUTSSCUUBXDAPX-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.35
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280211) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280211
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)5-1-2-7(17)16(3-5)4-6-8(13)18-15-14-6/h1-3H,4,13H2
InChIKeyDUTSSCUUBXDAPX-UHFFFAOYSA-N
XLogP1.35
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280211) is 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is Nc1snnc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DUTSSCUUBXDAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c10-9(11,12)5-1-2-7(17)16(3-5)4-6-8(13)18-15-14-6/h1-3H,4,13H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).