2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole

C16H25N3O3S2 — CID 90617933

IUPAC2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESO=S(=O)(C1CC1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C16H25N3O3S2/c20-24(21,15-1-2-15)19-10-3-13(4-11-19)18-8-5-14(6-9-18)22-16-17-7-12-23-16/h7,12-15H,1-6,8-11H2
InChIKeyCASIMKFAZWNYKJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole

2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 90617933) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
PubChem CID90617933
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESO=S(=O)(C1CC1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C16H25N3O3S2/c20-24(21,15-1-2-15)19-10-3-13(4-11-19)18-8-5-14(6-9-18)22-16-17-7-12-23-16/h7,12-15H,1-6,8-11H2
InChIKeyCASIMKFAZWNYKJ-UHFFFAOYSA-N
XLogP1.94
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (CID 90617933) is 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is O=S(=O)(C1CC1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is CASIMKFAZWNYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c20-24(21,15-1-2-15)19-10-3-13(4-11-19)18-8-5-14(6-9-18)22-16-17-7-12-23-16/h7,12-15H,1-6,8-11H2.
What are the key properties of 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 371.53 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90617933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).