N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide

C18H20FN3OS — CID 30940095

IUPACN-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
SMILESCCCCNC(=O)CCc1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C18H20FN3OS/c1-2-3-10-20-17(23)9-8-13-12-24-18-21-16(11-22(13)18)14-6-4-5-7-15(14)19/h4-7,11-12H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyYUQXNEJHZDUTKK-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.05
Rot. Bonds7

About N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide

N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (PubChem CID 30940095) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
PubChem CID30940095
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
SMILESCCCCNC(=O)CCc1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C18H20FN3OS/c1-2-3-10-20-17(23)9-8-13-12-24-18-21-16(11-22(13)18)14-6-4-5-7-15(14)19/h4-7,11-12H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyYUQXNEJHZDUTKK-UHFFFAOYSA-N
XLogP4.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092
N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940055
N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940218
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939987
N-(5-chloro-2-methoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940220
N-(2,5-dimethoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940030
N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27377015
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940041
N-(3-methylbutyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939257
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 30940072
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30940141

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The IUPAC name of N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (CID 30940095) is N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.
What is the SMILES notation for N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The canonical SMILES for N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is CCCCNC(=O)CCc1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The InChIKey is YUQXNEJHZDUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-2-3-10-20-17(23)9-8-13-12-24-18-21-16(11-22(13)18)14-6-4-5-7-15(14)19/h4-7,11-12H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is sourced from PubChem (CID 30940095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).