5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole

C9H15ClN4S — CID 63610707

IUPAC5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
SMILESCC1CN(Cc2nnsc2Cl)CCN1C
InChIInChI=1S/C9H15ClN4S/c1-7-5-14(4-3-13(7)2)6-8-9(10)15-12-11-8/h7H,3-6H2,1-2H3
InChIKeyZJHWVAPNULKBIO-UHFFFAOYSA-N
MW246.77 g/mol
LogP1.33
Rot. Bonds2

About 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole

5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole (PubChem CID 63610707) has the molecular formula C9H15ClN4S and a molecular weight of 246.77 g/mol. Its IUPAC name is 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
PubChem CID63610707
Molecular FormulaC9H15ClN4S
Molecular Weight246.77 g/mol
Exact Mass246.07
IUPAC Name5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
SMILESCC1CN(Cc2nnsc2Cl)CCN1C
InChIInChI=1S/C9H15ClN4S/c1-7-5-14(4-3-13(7)2)6-8-9(10)15-12-11-8/h7H,3-6H2,1-2H3
InChIKeyZJHWVAPNULKBIO-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.77
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole (CID 63610707) is 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole is CC1CN(Cc2nnsc2Cl)CCN1C.
What is the InChIKey of 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole?
The InChIKey is ZJHWVAPNULKBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4S/c1-7-5-14(4-3-13(7)2)6-8-9(10)15-12-11-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole?
5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole has a molecular weight of 246.77 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 63610707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).