3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole

C7H12N4S2 — CID 68533754

IUPAC3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCSc1nsc(N2CCNCC2)n1
InChIInChI=1S/C7H12N4S2/c1-12-6-9-7(13-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyLAXFFDAHPFILCU-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.67
Rot. Bonds2

About 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole

3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 68533754) has the molecular formula C7H12N4S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID68533754
Molecular FormulaC7H12N4S2
Molecular Weight216.33 g/mol
Exact Mass216.05
IUPAC Name3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCSc1nsc(N2CCNCC2)n1
InChIInChI=1S/C7H12N4S2/c1-12-6-9-7(13-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyLAXFFDAHPFILCU-UHFFFAOYSA-N
XLogP0.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
3-Piperazin-1-yl-1,2,4-thiadiazole
CID 18787135
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 28908344
3-(4-Methylpiperazin-1-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
CID 57712252
N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 65268913
3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269225
1-(3-Methoxy-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68530741
1-(3-Methanesulfonyl-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68532082
2-N-(2-aminoethyl)-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 118932885
2-N-[2-(diethylamino)ethyl]-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 167281200
4-N-methyl-6-methylsulfanyl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 169699669

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole (CID 68533754) is 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole is CSc1nsc(N2CCNCC2)n1.
What is the InChIKey of 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is LAXFFDAHPFILCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c1-12-6-9-7(13-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3.
What are the key properties of 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole?
3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 216.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 68533754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).