5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole

C15H21BrN4O2S — CID 131988751

IUPAC5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole
SMILESCC(C)C1CNCCC1(CCOc1nc(Br)cs1)c1cnno1
InChIInChI=1S/C15H21BrN4O2S/c1-10(2)11-7-17-5-3-15(11,12-8-18-20-22-12)4-6-21-14-19-13(16)9-23-14/h8-11,17H,3-7H2,1-2H3
InChIKeyYXCBVMSDFXTHQP-UHFFFAOYSA-N
MW401.33 g/mol
LogP3.26
Rot. Bonds6

About 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole

5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole (PubChem CID 131988751) has the molecular formula C15H21BrN4O2S and a molecular weight of 401.33 g/mol. Its IUPAC name is 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole.

Molecular Properties

Compound Name5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole
PubChem CID131988751
Molecular FormulaC15H21BrN4O2S
Molecular Weight401.33 g/mol
Exact Mass400.06
IUPAC Name5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole
SMILESCC(C)C1CNCCC1(CCOc1nc(Br)cs1)c1cnno1
InChIInChI=1S/C15H21BrN4O2S/c1-10(2)11-7-17-5-3-15(11,12-8-18-20-22-12)4-6-21-14-19-13(16)9-23-14/h8-11,17H,3-7H2,1-2H3
InChIKeyYXCBVMSDFXTHQP-UHFFFAOYSA-N
XLogP3.26
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole?
The IUPAC name of 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole (CID 131988751) is 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole.
What is the SMILES notation for 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole?
The canonical SMILES for 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole is CC(C)C1CNCCC1(CCOc1nc(Br)cs1)c1cnno1.
What is the InChIKey of 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole?
The InChIKey is YXCBVMSDFXTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2S/c1-10(2)11-7-17-5-3-15(11,12-8-18-20-22-12)4-6-21-14-19-13(16)9-23-14/h8-11,17H,3-7H2,1-2H3.
What are the key properties of 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole?
5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole has a molecular weight of 401.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(4-bromo-1,3-thiazol-2-yl)oxy]ethyl]-3-propan-2-ylpiperidin-4-yl]oxadiazole is sourced from PubChem (CID 131988751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).