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

C10H15ClN2O2S2 — CID 43584512

IUPAC2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCCC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2O2S2/c1-2-8-4-3-5-13(7-8)17(14,15)9-6-12-10(11)16-9/h6,8H,2-5,7H2,1H3
InChIKeyHUPYOTBJWAUBFV-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.61
Rot. Bonds3

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

2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43584512) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43584512
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCCC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2O2S2/c1-2-8-4-3-5-13(7-8)17(14,15)9-6-12-10(11)16-9/h6,8H,2-5,7H2,1H3
InChIKeyHUPYOTBJWAUBFV-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-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole (CID 43584512) is 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole is CCC1CCCN(S(=O)(=O)c2cnc(Cl)s2)C1.
What is the InChIKey of 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is HUPYOTBJWAUBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-2-8-4-3-5-13(7-8)17(14,15)9-6-12-10(11)16-9/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-chloro-5-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(3-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-(3-ethylpiperidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43584512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).