4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide

C17H18FN3O2S — CID 71858963

IUPAC4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2cn3ccsc3n2)cc1F
InChIInChI=1S/C17H18FN3O2S/c1-23-15-6-5-12(9-14(15)18)3-2-4-16(22)19-10-13-11-21-7-8-24-17(21)20-13/h5-9,11H,2-4,10H2,1H3,(H,19,22)
InChIKeyYKLBIADWCVBMKB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.18
Rot. Bonds7

About 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide

4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide (PubChem CID 71858963) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
PubChem CID71858963
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCc2cn3ccsc3n2)cc1F
InChIInChI=1S/C17H18FN3O2S/c1-23-15-6-5-12(9-14(15)18)3-2-4-16(22)19-10-13-11-21-7-8-24-17(21)20-13/h5-9,11H,2-4,10H2,1H3,(H,19,22)
InChIKeyYKLBIADWCVBMKB-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 74238451
4-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 71922903
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
1-[(3-fluoro-4-methylphenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111845551
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide (CID 71858963) is 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide is COc1ccc(CCCC(=O)NCc2cn3ccsc3n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide?
The InChIKey is YKLBIADWCVBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-23-15-6-5-12(9-14(15)18)3-2-4-16(22)19-10-13-11-21-7-8-24-17(21)20-13/h5-9,11H,2-4,10H2,1H3,(H,19,22).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide?
4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide has a molecular weight of 347.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide is sourced from PubChem (CID 71858963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).