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

C10H15ClN2O3S2 — CID 43456246

IUPAC2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCOC1CCN(S(=O)(=O)c2sc(Cl)nc2C)CC1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-9(17-10(11)12-7)18(14,15)13-5-3-8(16-2)4-6-13/h8H,3-6H2,1-2H3
InChIKeyMCAMVHMNMOSKGT-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.90
Rot. Bonds3

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

2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (PubChem CID 43456246) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
PubChem CID43456246
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCOC1CCN(S(=O)(=O)c2sc(Cl)nc2C)CC1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-9(17-10(11)12-7)18(14,15)13-5-3-8(16-2)4-6-13/h8H,3-6H2,1-2H3
InChIKeyMCAMVHMNMOSKGT-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.90
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-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (CID 43456246) is 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is COC1CCN(S(=O)(=O)c2sc(Cl)nc2C)CC1.
What is the InChIKey of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The InChIKey is MCAMVHMNMOSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-7-9(17-10(11)12-7)18(14,15)13-5-3-8(16-2)4-6-13/h8H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole has a molecular weight of 310.83 g/mol, XLogP of 1.90, 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-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 43456246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).