2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole

C12H15N5O2S2 — CID 133467685

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCS(=O)(=O)N1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C12H15N5O2S2/c1-21(18,19)17-8-6-16(7-9-17)12-15-14-11(20-12)10-4-2-3-5-13-10/h2-5H,6-9H2,1H3
InChIKeyXPHYMGJYRYWCIK-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.68
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole

2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 133467685) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID133467685
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCS(=O)(=O)N1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C12H15N5O2S2/c1-21(18,19)17-8-6-16(7-9-17)12-15-14-11(20-12)10-4-2-3-5-13-10/h2-5H,6-9H2,1H3
InChIKeyXPHYMGJYRYWCIK-UHFFFAOYSA-N
XLogP0.68
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467171
3,5-dimethyl-4-[[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 133467725
2-(4-ethyl-1,4-diazepan-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133454665
(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133455049
2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133476364
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133443143
(3-chlorophenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133468145
methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate
CID 75477877
2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 75477890

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole (CID 133467685) is 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole is CS(=O)(=O)N1CCN(c2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is XPHYMGJYRYWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-21(18,19)17-8-6-16(7-9-17)12-15-14-11(20-12)10-4-2-3-5-13-10/h2-5H,6-9H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 325.42 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133467685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).