2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole

C15H19N3O2S2 — CID 71846538

IUPAC2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cnc(C)s3)CC2)c1
InChIInChI=1S/C15H19N3O2S2/c1-12-4-3-5-14(10-12)17-6-8-18(9-7-17)22(19,20)15-11-16-13(2)21-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyVOWCWRFGVKLVNN-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole

2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 71846538) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole
PubChem CID71846538
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cnc(C)s3)CC2)c1
InChIInChI=1S/C15H19N3O2S2/c1-12-4-3-5-14(10-12)17-6-8-18(9-7-17)22(19,20)15-11-16-13(2)21-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyVOWCWRFGVKLVNN-UHFFFAOYSA-N
XLogP2.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole (CID 71846538) is 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole is Cc1cccc(N2CCN(S(=O)(=O)c3cnc(C)s3)CC2)c1.
What is the InChIKey of 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is VOWCWRFGVKLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-12-4-3-5-14(10-12)17-6-8-18(9-7-17)22(19,20)15-11-16-13(2)21-15/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 337.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 71846538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).