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

C8H13ClN4S — CID 59013949

IUPAC3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCC1CN(c2nsnc2Cl)CC(C)N1
InChIInChI=1S/C8H13ClN4S/c1-5-3-13(4-6(2)10-5)8-7(9)11-14-12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyIZHVQHZKKDWNJU-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.38
Rot. Bonds1

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

3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole (PubChem CID 59013949) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole
PubChem CID59013949
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCC1CN(c2nsnc2Cl)CC(C)N1
InChIInChI=1S/C8H13ClN4S/c1-5-3-13(4-6(2)10-5)8-7(9)11-14-12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyIZHVQHZKKDWNJU-UHFFFAOYSA-N
XLogP1.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole (CID 59013949) is 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole is CC1CN(c2nsnc2Cl)CC(C)N1.
What is the InChIKey of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole?
The InChIKey is IZHVQHZKKDWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-5-3-13(4-6(2)10-5)8-7(9)11-14-12-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole?
3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole has a molecular weight of 232.74 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethylpiperazin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 59013949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).