3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine

C17H18FN3O2S — CID 173487432

IUPAC3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine
SMILESCOc1cc(-c2nc3sccn3c2OCC=CN(C)C)ccc1F
InChIInChI=1S/C17H18FN3O2S/c1-20(2)7-4-9-23-16-15(19-17-21(16)8-10-24-17)12-5-6-13(18)14(11-12)22-3/h4-8,10-11H,9H2,1-3H3
InChIKeyNAUBKWDQCFRIKR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.66
Rot. Bonds6

About 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine

3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine (PubChem CID 173487432) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine
PubChem CID173487432
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine
SMILESCOc1cc(-c2nc3sccn3c2OCC=CN(C)C)ccc1F
InChIInChI=1S/C17H18FN3O2S/c1-20(2)7-4-9-23-16-15(19-17-21(16)8-10-24-17)12-5-6-13(18)14(11-12)22-3/h4-8,10-11H,9H2,1-3H3
InChIKeyNAUBKWDQCFRIKR-UHFFFAOYSA-N
XLogP3.66
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine (CID 173487432) is 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine is COc1cc(-c2nc3sccn3c2OCC=CN(C)C)ccc1F.
What is the InChIKey of 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine?
The InChIKey is NAUBKWDQCFRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-20(2)7-4-9-23-16-15(19-17-21(16)8-10-24-17)12-5-6-13(18)14(11-12)22-3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine?
3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine has a molecular weight of 347.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]oxy-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 173487432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).