N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C21H29N5O2S — CID 164571942

IUPACN-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc2c(c1)sc1nc(N3CCOCC3)cn12
InChIInChI=1S/C21H29N5O2S/c1-3-24(4-2)9-5-8-22-20(27)16-6-7-17-18(14-16)29-21-23-19(15-26(17)21)25-10-12-28-13-11-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,27)
InChIKeyFPGXSTDMENTQCM-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.85
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571942) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571942
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc2c(c1)sc1nc(N3CCOCC3)cn12
InChIInChI=1S/C21H29N5O2S/c1-3-24(4-2)9-5-8-22-20(27)16-6-7-17-18(14-16)29-21-23-19(15-26(17)21)25-10-12-28-13-11-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,27)
InChIKeyFPGXSTDMENTQCM-UHFFFAOYSA-N
XLogP2.85
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.85
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

N-[3-(diethylamino)propyl]-2-[4-(oxan-4-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571921
N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571962
N-[3-(diethylamino)propyl]-2-morpholin-2-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide;formic acid
CID 175453597
N-[3-(diethylamino)propyl]-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039411
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 110839509
2-[4-[(cyclopropylamino)methyl]phenyl]-N-[3-(diethylamino)propyl]-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide
CID 164572067
5-(diethylamino)-1-[2-[4-(oxan-4-yl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167671027
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[(2R)-5-(diethylamino)pentan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 94813287
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide
CID 167633099
5-(diethylamino)-1-[2-(3-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167554280

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 164571942) is N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCN(CC)CCCNC(=O)c1ccc2c(c1)sc1nc(N3CCOCC3)cn12.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is FPGXSTDMENTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-3-24(4-2)9-5-8-22-20(27)16-6-7-17-18(14-16)29-21-23-19(15-26(17)21)25-10-12-28-13-11-25/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,27).
What are the key properties of N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).