N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide

C22H26N4O2S — CID 44896729

IUPACN-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
SMILESCOc1cccc2sc(N3CCN(CCNC(=O)c4ccccc4C)CC3)nc12
InChIInChI=1S/C22H26N4O2S/c1-16-6-3-4-7-17(16)21(27)23-10-11-25-12-14-26(15-13-25)22-24-20-18(28-2)8-5-9-19(20)29-22/h3-9H,10-15H2,1-2H3,(H,23,27)
InChIKeyHPDHJYOBXUMDDO-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide

N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide (PubChem CID 44896729) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
PubChem CID44896729
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
SMILESCOc1cccc2sc(N3CCN(CCNC(=O)c4ccccc4C)CC3)nc12
InChIInChI=1S/C22H26N4O2S/c1-16-6-3-4-7-17(16)21(27)23-10-11-25-12-14-26(15-13-25)22-24-20-18(28-2)8-5-9-19(20)29-22/h3-9H,10-15H2,1-2H3,(H,23,27)
InChIKeyHPDHJYOBXUMDDO-UHFFFAOYSA-N
XLogP3.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,5-dimethylbenzamide
CID 44896769
3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 44896763
2,5-dichloro-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896713
2,3-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897503
5-bromo-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 44896689
2,5-dimethyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896605
2,4-dimethyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896607
2-ethylsulfanyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 41028378
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
CID 44896855
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]acetamide
CID 44896781
2-chloro-N-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897185
2,5-dichloro-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897447

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide (CID 44896729) is N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide is COc1cccc2sc(N3CCN(CCNC(=O)c4ccccc4C)CC3)nc12.
What is the InChIKey of N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide?
The InChIKey is HPDHJYOBXUMDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-6-3-4-7-17(16)21(27)23-10-11-25-12-14-26(15-13-25)22-24-20-18(28-2)8-5-9-19(20)29-22/h3-9H,10-15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide?
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide has a molecular weight of 410.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 44896729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).