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

C9H14ClN3O2S2 — CID 43455759

IUPAC2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H14ClN3O2S2/c1-2-12-3-5-13(6-4-12)17(14,15)8-7-11-9(10)16-8/h7H,2-6H2,1H3
InChIKeyRFSVRQKIGGEEDE-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.12
Rot. Bonds3

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

2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455759) has the molecular formula C9H14ClN3O2S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455759
Molecular FormulaC9H14ClN3O2S2
Molecular Weight295.82 g/mol
Exact Mass295.02
IUPAC Name2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESCCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H14ClN3O2S2/c1-2-12-3-5-13(6-4-12)17(14,15)8-7-11-9(10)16-8/h7H,2-6H2,1H3
InChIKeyRFSVRQKIGGEEDE-UHFFFAOYSA-N
XLogP1.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 43455759) is 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole is CCN1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is RFSVRQKIGGEEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S2/c1-2-12-3-5-13(6-4-12)17(14,15)8-7-11-9(10)16-8/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 295.82 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).