4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole

C11H19N3O2S2 — CID 126792573

IUPAC4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1
InChIInChI=1S/C11H19N3O2S2/c1-9-8-17-11(12-9)7-13-4-5-14(10(2)6-13)18(3,15)16/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyOCQCTVKKJIVPML-JTQLQIEISA-N
MW289.43 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole

4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 126792573) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID126792573
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1
InChIInChI=1S/C11H19N3O2S2/c1-9-8-17-11(12-9)7-13-4-5-14(10(2)6-13)18(3,15)16/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyOCQCTVKKJIVPML-JTQLQIEISA-N
XLogP0.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 126792573) is 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole is Cc1csc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1.
What is the InChIKey of 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OCQCTVKKJIVPML-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9-8-17-11(12-9)7-13-4-5-14(10(2)6-13)18(3,15)16/h8,10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 289.43 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126792573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).