2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole

C10H15ClN2O2S2 — CID 43455760

IUPAC2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCC1CCCC(C)N1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O2S2/c1-7-4-3-5-8(2)13(7)17(14,15)9-6-12-10(11)16-9/h6-8H,3-5H2,1-2H3
InChIKeyPQKBHXGONADJKV-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.75
Rot. Bonds2

About 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole

2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455760) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455760
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCC1CCCC(C)N1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O2S2/c1-7-4-3-5-8(2)13(7)17(14,15)9-6-12-10(11)16-9/h6-8H,3-5H2,1-2H3
InChIKeyPQKBHXGONADJKV-UHFFFAOYSA-N
XLogP2.75
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole (CID 43455760) is 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole is CC1CCCC(C)N1S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is PQKBHXGONADJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-7-4-3-5-8(2)13(7)17(14,15)9-6-12-10(11)16-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 294.83 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).