2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide

C8H13ClN4OS — CID 43407879

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1nnsc1Cl
InChIInChI=1S/C8H13ClN4OS/c1-12(2)7(14)5-13(3)4-6-8(9)15-11-10-6/h4-5H2,1-3H3
InChIKeyXZLLVJRLDBVWMU-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.71
Rot. Bonds4

About 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide

2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 43407879) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID43407879
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1nnsc1Cl
InChIInChI=1S/C8H13ClN4OS/c1-12(2)7(14)5-13(3)4-6-8(9)15-11-10-6/h4-5H2,1-3H3
InChIKeyXZLLVJRLDBVWMU-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide 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-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide (CID 43407879) is 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is XZLLVJRLDBVWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4OS/c1-12(2)7(14)5-13(3)4-6-8(9)15-11-10-6/h4-5H2,1-3H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 248.74 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43407879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).