N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide

C25H32N4O4S — CID 44897373

IUPACN-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(OC)c2sc(N3CCN(CCNC(=O)c4ccc(OC(C)C)cc4)CC3)nc12
InChIInChI=1S/C25H32N4O4S/c1-17(2)33-19-7-5-18(6-8-19)24(30)26-11-12-28-13-15-29(16-14-28)25-27-22-20(31-3)9-10-21(32-4)23(22)34-25/h5-10,17H,11-16H2,1-4H3,(H,26,30)
InChIKeyQWMBBVSHZSPDFG-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.65
Rot. Bonds9

About N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide

N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 44897373) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide
PubChem CID44897373
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(OC)c2sc(N3CCN(CCNC(=O)c4ccc(OC(C)C)cc4)CC3)nc12
InChIInChI=1S/C25H32N4O4S/c1-17(2)33-19-7-5-18(6-8-19)24(30)26-11-12-28-13-15-29(16-14-28)25-27-22-20(31-3)9-10-21(32-4)23(22)34-25/h5-10,17H,11-16H2,1-4H3,(H,26,30)
InChIKeyQWMBBVSHZSPDFG-UHFFFAOYSA-N
XLogP3.65
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045562
3,5-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897423
4-(dibutylsulfamoyl)-N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 121039073
N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfonylbenzamide;hydrochloride
CID 44990477
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
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-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 44897463
(E)-N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-phenylprop-2-enamide
CID 44897329
2,5-dichloro-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897447
methyl 4-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethylcarbamoyl]benzoate
CID 44896185
N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-phenoxybenzamide
CID 44898808
3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 44896763

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide (CID 44897373) is N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide is COc1ccc(OC)c2sc(N3CCN(CCNC(=O)c4ccc(OC(C)C)cc4)CC3)nc12.
What is the InChIKey of N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is QWMBBVSHZSPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-17(2)33-19-7-5-18(6-8-19)24(30)26-11-12-28-13-15-29(16-14-28)25-27-22-20(31-3)9-10-21(32-4)23(22)34-25/h5-10,17H,11-16H2,1-4H3,(H,26,30).
What are the key properties of N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 484.62 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 44897373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).