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

C14H22ClN3O2S2 — CID 146666615

IUPAC2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cnc(Cl)s3)CC2)CC1
InChIInChI=1S/C14H22ClN3O2S2/c1-11-2-6-17(7-3-11)12-4-8-18(9-5-12)22(19,20)13-10-16-14(15)21-13/h10-12H,2-9H2,1H3
InChIKeyXWLNALVLJPMWLM-UHFFFAOYSA-N
MW363.94 g/mol
LogP2.68
Rot. Bonds3

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

2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 146666615) has the molecular formula C14H22ClN3O2S2 and a molecular weight of 363.94 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
PubChem CID146666615
Molecular FormulaC14H22ClN3O2S2
Molecular Weight363.94 g/mol
Exact Mass363.08
IUPAC Name2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cnc(Cl)s3)CC2)CC1
InChIInChI=1S/C14H22ClN3O2S2/c1-11-2-6-17(7-3-11)12-4-8-18(9-5-12)22(19,20)13-10-16-14(15)21-13/h10-12H,2-9H2,1H3
InChIKeyXWLNALVLJPMWLM-UHFFFAOYSA-N
XLogP2.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.94
LogP ≤ 52.68
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-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole (CID 146666615) is 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole is CC1CCN(C2CCN(S(=O)(=O)c3cnc(Cl)s3)CC2)CC1.
What is the InChIKey of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is XWLNALVLJPMWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S2/c1-11-2-6-17(7-3-11)12-4-8-18(9-5-12)22(19,20)13-10-16-14(15)21-13/h10-12H,2-9H2,1H3.
What are the key properties of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 363.94 g/mol, XLogP of 2.68, 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-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 146666615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).