2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide

C24H27N5O3S — CID 117093864

IUPAC2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1
InChIInChI=1S/C24H27N5O3S/c30-22-3-1-9-29(22)10-2-8-25-23(31)17-4-6-19-20(15-17)33-24(27-19)18-5-7-21(26-16-18)28-11-13-32-14-12-28/h4-7,15-16H,1-3,8-14H2,(H,25,31)
InChIKeyARFMSQPCGJGBAU-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.94
Rot. Bonds7

About 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide

2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 117093864) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
PubChem CID117093864
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1
InChIInChI=1S/C24H27N5O3S/c30-22-3-1-9-29(22)10-2-8-25-23(31)17-4-6-19-20(15-17)33-24(27-19)18-5-7-21(26-16-18)28-11-13-32-14-12-28/h4-7,15-16H,1-3,8-14H2,(H,25,31)
InChIKeyARFMSQPCGJGBAU-UHFFFAOYSA-N
XLogP2.94
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
2-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-(2-phenoxyethyl)-1,3-benzothiazole-6-carboxamide
CID 117090279
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 117084994
N-[2-(4-hydroxyphenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-benzothiazole-6-carboxamide
CID 117085815
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-[2-(4-methoxyphenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-benzothiazole-6-carboxamide
CID 117094377
2-[(1-benzylpiperidin-4-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117083071
2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117083693
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide (CID 117093864) is 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc2nc(-c3ccc(N4CCOCC4)nc3)sc2c1.
What is the InChIKey of 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is ARFMSQPCGJGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c30-22-3-1-9-29(22)10-2-8-25-23(31)17-4-6-19-20(15-17)33-24(27-19)18-5-7-21(26-16-18)28-11-13-32-14-12-28/h4-7,15-16H,1-3,8-14H2,(H,25,31).
What are the key properties of 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117093864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).