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

C12H13F3N4OS — CID 63280257

IUPAC1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H13F3N4OS/c1-2-5-16-11-9(17-18-21-11)7-19-6-8(12(13,14)15)3-4-10(19)20/h3-4,6,16H,2,5,7H2,1H3
InChIKeyZDHHMPAKKJJNOQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.59
Rot. Bonds5

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

1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280257) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280257
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H13F3N4OS/c1-2-5-16-11-9(17-18-21-11)7-19-6-8(12(13,14)15)3-4-10(19)20/h3-4,6,16H,2,5,7H2,1H3
InChIKeyZDHHMPAKKJJNOQ-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(propylamino)thiadiazol-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-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 63280257) is 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is CCCNc1snnc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZDHHMPAKKJJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-2-5-16-11-9(17-18-21-11)7-19-6-8(12(13,14)15)3-4-10(19)20/h3-4,6,16H,2,5,7H2,1H3.
What are the key properties of 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 318.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).