2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4OS — CID 71913735

IUPAC2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H17F3N4OS/c1-10(2,3)8-16-17-9(20-8)15-5-7(19)18(4)6-11(12,13)14/h5-6H2,1-4H3,(H,15,17)
InChIKeyUKZGTNREUOAKBT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.27
Rot. Bonds4

About 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71913735) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71913735
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H17F3N4OS/c1-10(2,3)8-16-17-9(20-8)15-5-7(19)18(4)6-11(12,13)14/h5-6H2,1-4H3,(H,15,17)
InChIKeyUKZGTNREUOAKBT-UHFFFAOYSA-N
XLogP2.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 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 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71913735) is 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNc1nnc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UKZGTNREUOAKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-10(2,3)8-16-17-9(20-8)15-5-7(19)18(4)6-11(12,13)14/h5-6H2,1-4H3,(H,15,17).
What are the key properties of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71913735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).