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

C9H16N4S — CID 82993713

IUPAC2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCNC(C)(C)C2)s1
InChIInChI=1S/C9H16N4S/c1-7-11-12-8(14-7)13-5-4-10-9(2,3)6-13/h10H,4-6H2,1-3H3
InChIKeyOJOPJHHWFHEEBC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.03
Rot. Bonds1

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

2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 82993713) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID82993713
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCNC(C)(C)C2)s1
InChIInChI=1S/C9H16N4S/c1-7-11-12-8(14-7)13-5-4-10-9(2,3)6-13/h10H,4-6H2,1-3H3
InChIKeyOJOPJHHWFHEEBC-UHFFFAOYSA-N
XLogP1.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 82993713) is 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCNC(C)(C)C2)s1.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is OJOPJHHWFHEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-11-12-8(14-7)13-5-4-10-9(2,3)6-13/h10H,4-6H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 82993713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).