N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

C17H17BrN4OS — CID 170740542

IUPACN-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C2CCN(c3c(Br)cccc3C#N)CC2)s1
InChIInChI=1S/C17H17BrN4OS/c1-11(23)21-17-20-10-15(24-17)12-5-7-22(8-6-12)16-13(9-19)3-2-4-14(16)18/h2-4,10,12H,5-8H2,1H3,(H,20,21,23)
InChIKeyWKPBHCLVFUVKNS-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.12
Rot. Bonds3

About N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 170740542) has the molecular formula C17H17BrN4OS and a molecular weight of 405.32 g/mol. Its IUPAC name is N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID170740542
Molecular FormulaC17H17BrN4OS
Molecular Weight405.32 g/mol
Exact Mass404.03
IUPAC NameN-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C2CCN(c3c(Br)cccc3C#N)CC2)s1
InChIInChI=1S/C17H17BrN4OS/c1-11(23)21-17-20-10-15(24-17)12-5-7-22(8-6-12)16-13(9-19)3-2-4-14(16)18/h2-4,10,12H,5-8H2,1H3,(H,20,21,23)
InChIKeyWKPBHCLVFUVKNS-UHFFFAOYSA-N
XLogP4.12
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (CID 170740542) is N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(C2CCN(c3c(Br)cccc3C#N)CC2)s1.
What is the InChIKey of N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WKPBHCLVFUVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4OS/c1-11(23)21-17-20-10-15(24-17)12-5-7-22(8-6-12)16-13(9-19)3-2-4-14(16)18/h2-4,10,12H,5-8H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 405.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-bromo-6-cyanophenyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 170740542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).