N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide

C19H22BrN3O2S2 — CID 2158833

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
SMILESCC1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C19H22BrN3O2S2/c1-13-6-8-23(9-7-13)18(25)12-26-11-17(24)22-19-21-16(10-27-19)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11-12H2,1H3,(H,21,22,24)
InChIKeyRDWAHBIOJSSXER-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.50
Rot. Bonds6

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide (PubChem CID 2158833) has the molecular formula C19H22BrN3O2S2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
PubChem CID2158833
Molecular FormulaC19H22BrN3O2S2
Molecular Weight468.44 g/mol
Exact Mass467.03
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
SMILESCC1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C19H22BrN3O2S2/c1-13-6-8-23(9-7-13)18(25)12-26-11-17(24)22-19-21-16(10-27-19)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11-12H2,1H3,(H,21,22,24)
InChIKeyRDWAHBIOJSSXER-UHFFFAOYSA-N
XLogP4.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide 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 N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide (CID 2158833) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide is CC1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)CC1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
The InChIKey is RDWAHBIOJSSXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S2/c1-13-6-8-23(9-7-13)18(25)12-26-11-17(24)22-19-21-16(10-27-19)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11-12H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 468.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 2158833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).