3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole

C9H15ClN4S — CID 63614902

IUPAC3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCN1CCN(c2nsnc2Cl)CC1(C)C
InChIInChI=1S/C9H15ClN4S/c1-9(2)6-14(5-4-13(9)3)8-7(10)11-15-12-8/h4-6H2,1-3H3
InChIKeyOMZXUFAOOLJHQY-UHFFFAOYSA-N
MW246.77 g/mol
LogP1.72
Rot. Bonds1

About 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole

3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole (PubChem CID 63614902) has the molecular formula C9H15ClN4S and a molecular weight of 246.77 g/mol. Its IUPAC name is 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole
PubChem CID63614902
Molecular FormulaC9H15ClN4S
Molecular Weight246.77 g/mol
Exact Mass246.07
IUPAC Name3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCN1CCN(c2nsnc2Cl)CC1(C)C
InChIInChI=1S/C9H15ClN4S/c1-9(2)6-14(5-4-13(9)3)8-7(10)11-15-12-8/h4-6H2,1-3H3
InChIKeyOMZXUFAOOLJHQY-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.77
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole 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 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole (CID 63614902) is 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole is CN1CCN(c2nsnc2Cl)CC1(C)C.
What is the InChIKey of 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole?
The InChIKey is OMZXUFAOOLJHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4S/c1-9(2)6-14(5-4-13(9)3)8-7(10)11-15-12-8/h4-6H2,1-3H3.
What are the key properties of 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole?
3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole has a molecular weight of 246.77 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 63614902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).