N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C18H23N3O3S — CID 46596910

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CC(=O)N(CC(C)C)C3)sc2c1
InChIInChI=1S/C18H23N3O3S/c1-4-24-13-5-6-14-15(8-13)25-18(19-14)20-17(23)12-7-16(22)21(10-12)9-11(2)3/h5-6,8,11-12H,4,7,9-10H2,1-3H3,(H,19,20,23)
InChIKeyHELASYPKLMDCIM-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.14
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46596910) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46596910
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CC(=O)N(CC(C)C)C3)sc2c1
InChIInChI=1S/C18H23N3O3S/c1-4-24-13-5-6-14-15(8-13)25-18(19-14)20-17(23)12-7-16(22)21(10-12)9-11(2)3/h5-6,8,11-12H,4,7,9-10H2,1-3H3,(H,19,20,23)
InChIKeyHELASYPKLMDCIM-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108810021
1-(2,6-diethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108769810
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120469
1-butyl-N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153657
1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6494505
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440
(3S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 40966314
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105457
(3R)-1-[2-(4-fluorophenyl)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438564
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597297
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 46596910) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc2nc(NC(=O)C3CC(=O)N(CC(C)C)C3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HELASYPKLMDCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-24-13-5-6-14-15(8-13)25-18(19-14)20-17(23)12-7-16(22)21(10-12)9-11(2)3/h5-6,8,11-12H,4,7,9-10H2,1-3H3,(H,19,20,23).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46596910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).