2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate

C24H30N4O2S — CID 91570648

IUPAC2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C24H30N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-10,18H,11-17H2,1-2H3,(H,25,29)
InChIKeyFYLYPYAQPIKJFX-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.87
Rot. Bonds7

About 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate

2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate (PubChem CID 91570648) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate
PubChem CID91570648
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C24H30N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-10,18H,11-17H2,1-2H3,(H,25,29)
InChIKeyFYLYPYAQPIKJFX-UHFFFAOYSA-N
XLogP4.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-5-chloro-1-methylpyrazole-4-carboxamide
CID 91468418
tert-butyl N-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate;hydrochloride
CID 45259399
1-[7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 11495771
4-acetamido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 45259400
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide
CID 11270474
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide
CID 91497065
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 91201499
tert-butyl 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydroindole-1-carboxylate
CID 90988891
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 91069215
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893
[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl N-(2,4-dimethylpentan-2-yl)carbamate
CID 135224897

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate (CID 91570648) is 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate is CC(C)COC(=O)Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1.
What is the InChIKey of 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
The InChIKey is FYLYPYAQPIKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-10,18H,11-17H2,1-2H3,(H,25,29).
What are the key properties of 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate?
2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate has a molecular weight of 438.60 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 91570648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).