3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

C24H30N4O4S — CID 44897423

IUPAC3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN2CCN(c3nc4c(OC)ccc(C)c4s3)CC2)c1
InChIInChI=1S/C24H30N4O4S/c1-16-5-6-20(32-4)21-22(16)33-24(26-21)28-11-9-27(10-12-28)8-7-25-23(29)17-13-18(30-2)15-19(14-17)31-3/h5-6,13-15H,7-12H2,1-4H3,(H,25,29)
InChIKeyUPCMZPZDOFHBEH-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.18
Rot. Bonds8

About 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 44897423) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
PubChem CID44897423
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN2CCN(c3nc4c(OC)ccc(C)c4s3)CC2)c1
InChIInChI=1S/C24H30N4O4S/c1-16-5-6-20(32-4)21-22(16)33-24(26-21)28-11-9-27(10-12-28)8-7-25-23(29)17-13-18(30-2)15-19(14-17)31-3/h5-6,13-15H,7-12H2,1-4H3,(H,25,29)
InChIKeyUPCMZPZDOFHBEH-UHFFFAOYSA-N
XLogP3.18
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dichloro-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897447
N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 44897463
2,3-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897503
N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide
CID 44897373
N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045562
N-[2-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-phenoxybenzamide
CID 44897289
3-[(4-fluorophenyl)sulfonylamino]-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121042274
N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfonylbenzamide;hydrochloride
CID 44990477
[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7540163
[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 7540160
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
CID 44896851
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,5-dimethylbenzamide
CID 44896769

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide (CID 44897423) is 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCN2CCN(c3nc4c(OC)ccc(C)c4s3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is UPCMZPZDOFHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-16-5-6-20(32-4)21-22(16)33-24(26-21)28-11-9-27(10-12-28)8-7-25-23(29)17-13-18(30-2)15-19(14-17)31-3/h5-6,13-15H,7-12H2,1-4H3,(H,25,29).
What are the key properties of 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 470.60 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44897423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).