2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole

C9H16N4O2S2 — CID 118766890

IUPAC2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C9H16N4O2S2/c1-8-10-11-9(16-8)7-12-3-5-13(6-4-12)17(2,14)15/h3-7H2,1-2H3
InChIKeyGCACKWBRMQIPDX-UHFFFAOYSA-N
MW276.39 g/mol
LogP-0.08
Rot. Bonds3

About 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole

2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 118766890) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID118766890
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C9H16N4O2S2/c1-8-10-11-9(16-8)7-12-3-5-13(6-4-12)17(2,14)15/h3-7H2,1-2H3
InChIKeyGCACKWBRMQIPDX-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 118789054
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118795800
2-[[4-(2-adamantyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118779205
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-methyl-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3,4-thiadiazole
CID 118773241
4-(chloromethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62994658
2-[(4-ethylazepan-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
CID 131928480
4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 47197934
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 130727418
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 118795744
4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
CID 131946303
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 110870205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (CID 118766890) is 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is Cc1nnc(CN2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is GCACKWBRMQIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-8-10-11-9(16-8)7-12-3-5-13(6-4-12)17(2,14)15/h3-7H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 276.39 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 118766890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).