2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole

C9H15N3O2S2 — CID 58328431

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C9H15N3O2S2/c1-8-10-7-9(15-8)16(13,14)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3
InChIKeyGWQJVGHSMVZIMB-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole

2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 58328431) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID58328431
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C9H15N3O2S2/c1-8-10-7-9(15-8)16(13,14)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3
InChIKeyGWQJVGHSMVZIMB-UHFFFAOYSA-N
XLogP0.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.39
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-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 58328431) is 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole is Cc1ncc(S(=O)(=O)N2CCN(C)CC2)s1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is GWQJVGHSMVZIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-8-10-7-9(15-8)16(13,14)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 261.37 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 58328431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).