N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C23H25FN4OS — CID 164571962

IUPACN-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C23H25FN4OS/c1-3-27(4-2)12-6-11-25-22(29)17-9-10-20-21(14-17)30-23-26-19(15-28(20)23)16-7-5-8-18(24)13-16/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,25,29)
InChIKeyRPXLCNQGOZQIRP-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.82
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571962) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571962
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C23H25FN4OS/c1-3-27(4-2)12-6-11-25-22(29)17-9-10-20-21(14-17)30-23-26-19(15-28(20)23)16-7-5-8-18(24)13-16/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,25,29)
InChIKeyRPXLCNQGOZQIRP-UHFFFAOYSA-N
XLogP4.82
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039411
2-(4-fluorophenyl)-N-(3-propylsulfanylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523788
N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571942
tert-butyl N-[3-[[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]propyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 170693059
2-(3-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571699
2-(3-methylphenyl)-N-(3-thiomorpholin-4-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 170717687
4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide
CID 167633099
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
5-(diethylamino)-1-[2-(3-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167554280
N-(3-aminopropyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide;hydrochloride
CID 166039236
N-[3-(diethylamino)propyl]-2-morpholin-2-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide;formic acid
CID 175453597

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 164571962) is N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCN(CC)CCCNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(F)c3)cn12.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is RPXLCNQGOZQIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c1-3-27(4-2)12-6-11-25-22(29)17-9-10-20-21(14-17)30-23-26-19(15-28(20)23)16-7-5-8-18(24)13-16/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).