3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole

C11H16N6S2 — CID 133428675

IUPAC3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3nc(C)ns3)[C@H](C)C2)n1
InChIInChI=1S/C11H16N6S2/c1-7-6-16(10-12-8(2)14-18-10)4-5-17(7)11-13-9(3)15-19-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTZNCSMSQGWVSEV-SSDOTTSWSA-N
MW296.43 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133428675) has the molecular formula C11H16N6S2 and a molecular weight of 296.43 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133428675
Molecular FormulaC11H16N6S2
Molecular Weight296.43 g/mol
Exact Mass296.09
IUPAC Name3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3nc(C)ns3)[C@H](C)C2)n1
InChIInChI=1S/C11H16N6S2/c1-7-6-16(10-12-8(2)14-18-10)4-5-17(7)11-13-9(3)15-19-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyTZNCSMSQGWVSEV-SSDOTTSWSA-N
XLogP1.72
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133428675) is 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCN(c3nc(C)ns3)[C@H](C)C2)n1.
What is the InChIKey of 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is TZNCSMSQGWVSEV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N6S2/c1-7-6-16(10-12-8(2)14-18-10)4-5-17(7)11-13-9(3)15-19-11/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 296.43 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133428675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).