2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

C22H24Cl2N4OS — CID 44896623

IUPAC2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCCc1cccc2sc(N3CCN(CCNC(=O)c4cc(Cl)ccc4Cl)CC3)nc12
InChIInChI=1S/C22H24Cl2N4OS/c1-2-15-4-3-5-19-20(15)26-22(30-19)28-12-10-27(11-13-28)9-8-25-21(29)17-14-16(23)6-7-18(17)24/h3-7,14H,2,8-13H2,1H3,(H,25,29)
InChIKeyKPJUHQUSUKIQSI-UHFFFAOYSA-N
MW463.43 g/mol
LogP4.72
Rot. Bonds6

About 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 44896623) has the molecular formula C22H24Cl2N4OS and a molecular weight of 463.43 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
PubChem CID44896623
Molecular FormulaC22H24Cl2N4OS
Molecular Weight463.43 g/mol
Exact Mass462.10
IUPAC Name2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCCc1cccc2sc(N3CCN(CCNC(=O)c4cc(Cl)ccc4Cl)CC3)nc12
InChIInChI=1S/C22H24Cl2N4OS/c1-2-15-4-3-5-19-20(15)26-22(30-19)28-12-10-27(11-13-28)9-8-25-21(29)17-14-16(23)6-7-18(17)24/h3-7,14H,2,8-13H2,1H3,(H,25,29)
InChIKeyKPJUHQUSUKIQSI-UHFFFAOYSA-N
XLogP4.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896857
2,5-dichloro-N-[2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897535
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-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897447
4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121045133
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-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896713
2-chloro-N-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897185
4-chloro-N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44898843
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
CID 44896855
5-chloro-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-nitrobenzamide
CID 44898794
2,4-dimethyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896607

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (CID 44896623) is 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is CCc1cccc2sc(N3CCN(CCNC(=O)c4cc(Cl)ccc4Cl)CC3)nc12.
What is the InChIKey of 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is KPJUHQUSUKIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4OS/c1-2-15-4-3-5-19-20(15)26-22(30-19)28-12-10-27(11-13-28)9-8-25-21(29)17-14-16(23)6-7-18(17)24/h3-7,14H,2,8-13H2,1H3,(H,25,29).
What are the key properties of 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 463.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44896623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).