N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine

C9H16ClN3S — CID 43431271

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S/c1-6(2)7(3)13(4)5-8-9(10)14-12-11-8/h6-7H,5H2,1-4H3
InChIKeyYGXVKFSXOFQJLG-UHFFFAOYSA-N
MW233.77 g/mol
LogP2.67
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine (PubChem CID 43431271) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
PubChem CID43431271
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S/c1-6(2)7(3)13(4)5-8-9(10)14-12-11-8/h6-7H,5H2,1-4H3
InChIKeyYGXVKFSXOFQJLG-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine 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 N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine (CID 43431271) is N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is YGXVKFSXOFQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3S/c1-6(2)7(3)13(4)5-8-9(10)14-12-11-8/h6-7H,5H2,1-4H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 233.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 43431271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).