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

C10H15ClN2O2S2 — CID 61045004

IUPAC2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCCC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2O2S2/c1-2-8-3-5-13(6-4-8)17(14,15)9-7-12-10(11)16-9/h7-8H,2-6H2,1H3
InChIKeyOTASOWJKOYSQQO-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.61
Rot. Bonds3

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

2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 61045004) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID61045004
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCCC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2O2S2/c1-2-8-3-5-13(6-4-8)17(14,15)9-7-12-10(11)16-9/h7-8H,2-6H2,1H3
InChIKeyOTASOWJKOYSQQO-UHFFFAOYSA-N
XLogP2.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole (CID 61045004) is 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole is CCC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is OTASOWJKOYSQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-2-8-3-5-13(6-4-8)17(14,15)9-7-12-10(11)16-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 294.83 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 61045004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).