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

C17H18FN3OS — CID 30940092

IUPAC3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C17H18FN3OS/c1-2-9-19-16(22)8-7-12-11-23-17-20-15(10-21(12)17)13-5-3-4-6-14(13)18/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)
InChIKeyHMKYOEIEBKGZBT-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.66
Rot. Bonds6

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

3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide (PubChem CID 30940092) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
PubChem CID30940092
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C17H18FN3OS/c1-2-9-19-16(22)8-7-12-11-23-17-20-15(10-21(12)17)13-5-3-4-6-14(13)18/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)
InChIKeyHMKYOEIEBKGZBT-UHFFFAOYSA-N
XLogP3.66
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940095
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-(2,5-dimethoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940030
N-(5-chloro-2-methoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940220
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 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide?
The IUPAC name of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide (CID 30940092) is 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide?
The canonical SMILES for 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide is CCCNC(=O)CCc1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide?
The InChIKey is HMKYOEIEBKGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-2-9-19-16(22)8-7-12-11-23-17-20-15(10-21(12)17)13-5-3-4-6-14(13)18/h3-6,10-11H,2,7-9H2,1H3,(H,19,22).
What are the key properties of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide?
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide is sourced from PubChem (CID 30940092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).