N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide

C20H21ClN4O2S — CID 30299059

IUPACN-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C20H21ClN4O2S/c21-15-5-1-3-7-17(15)27-14-13-24-9-11-25(12-10-24)20(26)23-19-22-16-6-2-4-8-18(16)28-19/h1-8H,9-14H2,(H,22,23,26)
InChIKeyPQKREPJVOHZVLS-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.18
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 30299059) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide
PubChem CID30299059
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C20H21ClN4O2S/c21-15-5-1-3-7-17(15)27-14-13-24-9-11-25(12-10-24)20(26)23-19-22-16-6-2-4-8-18(16)28-19/h1-8H,9-14H2,(H,22,23,26)
InChIKeyPQKREPJVOHZVLS-UHFFFAOYSA-N
XLogP4.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide 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-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 30269694
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 88910072
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
CID 108802384
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119839292
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide (CID 30299059) is N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide is O=C(Nc1nc2ccccc2s1)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is PQKREPJVOHZVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c21-15-5-1-3-7-17(15)27-14-13-24-9-11-25(12-10-24)20(26)23-19-22-16-6-2-4-8-18(16)28-19/h1-8H,9-14H2,(H,22,23,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 416.93 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 30299059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).