5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole

C11H18ClN3O2S2 — CID 55116922

IUPAC5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole
SMILESCCC(C)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O2S2/c1-3-9(2)14-4-6-15(7-5-14)19(16,17)10-8-13-11(12)18-10/h8-9H,3-7H2,1-2H3
InChIKeyLTUGCCQKZQPUAA-UHFFFAOYSA-N
MW323.87 g/mol
LogP1.90
Rot. Bonds4

About 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole

5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole (PubChem CID 55116922) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole
PubChem CID55116922
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole
SMILESCCC(C)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O2S2/c1-3-9(2)14-4-6-15(7-5-14)19(16,17)10-8-13-11(12)18-10/h8-9H,3-7H2,1-2H3
InChIKeyLTUGCCQKZQPUAA-UHFFFAOYSA-N
XLogP1.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole (CID 55116922) is 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole is CCC(C)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
The InChIKey is LTUGCCQKZQPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-3-9(2)14-4-6-15(7-5-14)19(16,17)10-8-13-11(12)18-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole has a molecular weight of 323.87 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-2-chloro-1,3-thiazole is sourced from PubChem (CID 55116922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).