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

C8H13N3O2S2 — CID 91064755

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCN1CCN(S(=O)(=O)c2cncs2)CC1
InChIInChI=1S/C8H13N3O2S2/c1-10-2-4-11(5-3-10)15(12,13)8-6-9-7-14-8/h6-7H,2-5H2,1H3
InChIKeyYSGWOEJBGSTRER-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.08
Rot. Bonds2

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

5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 91064755) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID91064755
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCN1CCN(S(=O)(=O)c2cncs2)CC1
InChIInChI=1S/C8H13N3O2S2/c1-10-2-4-11(5-3-10)15(12,13)8-6-9-7-14-8/h6-7H,2-5H2,1H3
InChIKeyYSGWOEJBGSTRER-UHFFFAOYSA-N
XLogP0.08
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 91064755) is 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole is CN1CCN(S(=O)(=O)c2cncs2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is YSGWOEJBGSTRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-10-2-4-11(5-3-10)15(12,13)8-6-9-7-14-8/h6-7H,2-5H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole?
5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 247.34 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 91064755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).