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

C10H15ClN2O2S2 — CID 43455811

IUPAC2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCC1CC(C)CN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2O2S2/c1-7-3-8(2)6-13(5-7)17(14,15)9-4-12-10(11)16-9/h4,7-8H,3,5-6H2,1-2H3
InChIKeyAYMXBLHEVUIHPT-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.46
Rot. Bonds2

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

2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455811) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455811
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCC1CC(C)CN(S(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2O2S2/c1-7-3-8(2)6-13(5-7)17(14,15)9-4-12-10(11)16-9/h4,7-8H,3,5-6H2,1-2H3
InChIKeyAYMXBLHEVUIHPT-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 61042545
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107877932
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanesulfonamide
CID 61047427
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 61047456
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
CID 126422401
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
CID 126422400
2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 901562
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine
CID 66382849
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
CID 43415248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole (CID 43455811) is 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole is CC1CC(C)CN(S(=O)(=O)c2cnc(Cl)s2)C1.
What is the InChIKey of 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is AYMXBLHEVUIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-7-3-8(2)6-13(5-7)17(14,15)9-4-12-10(11)16-9/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 294.83 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).