2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

C20H19Cl3N4OS — CID 44896857

IUPAC2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2nc3c(Cl)cccc3s2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl3N4OS/c21-13-4-5-14(16(23)12-13)19(28)24-6-7-26-8-10-27(11-9-26)20-25-18-15(22)2-1-3-17(18)29-20/h1-5,12H,6-11H2,(H,24,28)
InChIKeyIBTVIASEVSLFNC-UHFFFAOYSA-N
MW469.83 g/mol
LogP4.81
Rot. Bonds5

About 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 44896857) has the molecular formula C20H19Cl3N4OS and a molecular weight of 469.83 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
PubChem CID44896857
Molecular FormulaC20H19Cl3N4OS
Molecular Weight469.83 g/mol
Exact Mass468.03
IUPAC Name2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2nc3c(Cl)cccc3s2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl3N4OS/c21-13-4-5-14(16(23)12-13)19(28)24-6-7-26-8-10-27(11-9-26)20-25-18-15(22)2-1-3-17(18)29-20/h1-5,12H,6-11H2,(H,24,28)
InChIKeyIBTVIASEVSLFNC-UHFFFAOYSA-N
XLogP4.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896845
2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896623
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
CID 44896855
2-chloro-N-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897185
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
CID 44896851
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonylbenzamide
CID 43981199
2,5-dimethyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896605
2,5-dichloro-N-[2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897535
2,4-dimethyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896607
2,5-dichloro-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896713
2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167648
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide;hydrochloride
CID 121041011

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (CID 44896857) is 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2nc3c(Cl)cccc3s2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is IBTVIASEVSLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4OS/c21-13-4-5-14(16(23)12-13)19(28)24-6-7-26-8-10-27(11-9-26)20-25-18-15(22)2-1-3-17(18)29-20/h1-5,12H,6-11H2,(H,24,28).
What are the key properties of 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 469.83 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44896857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).