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

C9H13ClN2O2S2 — CID 43455764

IUPAC2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H13ClN2O2S2/c1-7-2-4-12(5-3-7)16(13,14)8-6-11-9(10)15-8/h6-7H,2-5H2,1H3
InChIKeyDLBUWSFHAPNWLP-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.22
Rot. Bonds2

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

2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455764) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455764
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H13ClN2O2S2/c1-7-2-4-12(5-3-7)16(13,14)8-6-11-9(10)15-8/h6-7H,2-5H2,1H3
InChIKeyDLBUWSFHAPNWLP-UHFFFAOYSA-N
XLogP2.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.22
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-methylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole (CID 43455764) is 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole is CC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is DLBUWSFHAPNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-7-2-4-12(5-3-7)16(13,14)8-6-11-9(10)15-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 280.80 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).