2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide

C23H23ClN4OS — CID 17473917

IUPAC2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1
InChIInChI=1S/C23H23ClN4OS/c24-18-7-8-21-20(15-18)26-23(30-21)17-9-13-27(14-10-17)16-22(29)28(12-4-11-25)19-5-2-1-3-6-19/h1-3,5-8,15,17H,4,9-10,12-14,16H2
InChIKeyJFZCIQXDDHVWND-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.08
Rot. Bonds6

About 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide

2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide (PubChem CID 17473917) has the molecular formula C23H23ClN4OS and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
PubChem CID17473917
Molecular FormulaC23H23ClN4OS
Molecular Weight438.98 g/mol
Exact Mass438.13
IUPAC Name2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1
InChIInChI=1S/C23H23ClN4OS/c24-18-7-8-21-20(15-18)26-23(30-21)17-9-13-27(14-10-17)16-22(29)28(12-4-11-25)19-5-2-1-3-6-19/h1-3,5-8,15,17H,4,9-10,12-14,16H2
InChIKeyJFZCIQXDDHVWND-UHFFFAOYSA-N
XLogP5.08
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide 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

4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]butanenitrile
CID 51111339
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 46564193
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55540501
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56515823
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloroquinolin-6-yl)methanone
CID 55822610
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 16576471
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 41419848
3-[[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one
CID 56584620
4-[3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 55470957

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
The IUPAC name of 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide (CID 17473917) is 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide is N#CCCN(C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
The InChIKey is JFZCIQXDDHVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4OS/c24-18-7-8-21-20(15-18)26-23(30-21)17-9-13-27(14-10-17)16-22(29)28(12-4-11-25)19-5-2-1-3-6-19/h1-3,5-8,15,17H,4,9-10,12-14,16H2.
What are the key properties of 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide?
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide has a molecular weight of 438.98 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide is sourced from PubChem (CID 17473917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).