4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide

C9H12F3N3OS — CID 136535944

IUPAC4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
SMILESCCC(CC(F)(F)F)NC(=O)c1snnc1C
InChIInChI=1S/C9H12F3N3OS/c1-3-6(4-9(10,11)12)13-8(16)7-5(2)14-15-17-7/h6H,3-4H2,1-2H3,(H,13,16)
InChIKeySLBOESGXWLWZNC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.31
Rot. Bonds4

About 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide

4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide (PubChem CID 136535944) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
PubChem CID136535944
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide
SMILESCCC(CC(F)(F)F)NC(=O)c1snnc1C
InChIInChI=1S/C9H12F3N3OS/c1-3-6(4-9(10,11)12)13-8(16)7-5(2)14-15-17-7/h6H,3-4H2,1-2H3,(H,13,16)
InChIKeySLBOESGXWLWZNC-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide 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 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide (CID 136535944) is 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide is CCC(CC(F)(F)F)NC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide?
The InChIKey is SLBOESGXWLWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-3-6(4-9(10,11)12)13-8(16)7-5(2)14-15-17-7/h6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide?
4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,1,1-trifluoropentan-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 136535944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).