1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

C11H11F3N4OS — CID 81320330

IUPAC1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C11H11F3N4OS/c1-2-15-10-17-16-8(20-10)6-18-7(11(12,13)14)4-3-5-9(18)19/h3-5H,2,6H2,1H3,(H,15,17)
InChIKeyXRGUYRDJABVDPW-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.20
Rot. Bonds4

About 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320330) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320330
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C11H11F3N4OS/c1-2-15-10-17-16-8(20-10)6-18-7(11(12,13)14)4-3-5-9(18)19/h3-5H,2,6H2,1H3,(H,15,17)
InChIKeyXRGUYRDJABVDPW-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(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-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320330) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is CCNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is XRGUYRDJABVDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-2-15-10-17-16-8(20-10)6-18-7(11(12,13)14)4-3-5-9(18)19/h3-5H,2,6H2,1H3,(H,15,17).
What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).