N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide

C16H18BrN3OS — CID 46907674

IUPACN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C16H18BrN3OS/c1-11(21)18-14-6-8-20(9-7-14)16-19-15(10-22-16)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,18,21)
InChIKeyOQEPVZDAAXJKDH-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.68
Rot. Bonds3

About N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide (PubChem CID 46907674) has the molecular formula C16H18BrN3OS and a molecular weight of 380.31 g/mol. Its IUPAC name is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
PubChem CID46907674
Molecular FormulaC16H18BrN3OS
Molecular Weight380.31 g/mol
Exact Mass379.04
IUPAC NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C16H18BrN3OS/c1-11(21)18-14-6-8-20(9-7-14)16-19-15(10-22-16)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,18,21)
InChIKeyOQEPVZDAAXJKDH-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 990823
CID 990823
CID 720656
CID 720656
CID 838339
CID 838339
CID 2900985
CID 2900985
CID 778223
CID 778223
CID 991000
CID 991000
CID 44143947
CID 44143947
CID 46907737
CID 46907737
CID 118514488
CID 118514488
CID 4084597
CID 4084597
CID 4962231
CID 4962231
CID 2336975
CID 2336975

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide (CID 46907674) is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1.
What is the InChIKey of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
The InChIKey is OQEPVZDAAXJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3OS/c1-11(21)18-14-6-8-20(9-7-14)16-19-15(10-22-16)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,18,21).
What are the key properties of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide has a molecular weight of 380.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46907674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).