N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine

C16H17ClFN3OS — CID 46994794

IUPACN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
SMILESCN(CCCOc1ccc(F)cc1)Cc1c(Cl)nc2sccn12
InChIInChI=1S/C16H17ClFN3OS/c1-20(7-2-9-22-13-5-3-12(18)4-6-13)11-14-15(17)19-16-21(14)8-10-23-16/h3-6,8,10H,2,7,9,11H2,1H3
InChIKeyBSWVNFRGBAXJIZ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.09
Rot. Bonds7

About N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine (PubChem CID 46994794) has the molecular formula C16H17ClFN3OS and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
PubChem CID46994794
Molecular FormulaC16H17ClFN3OS
Molecular Weight353.85 g/mol
Exact Mass353.08
IUPAC NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
SMILESCN(CCCOc1ccc(F)cc1)Cc1c(Cl)nc2sccn12
InChIInChI=1S/C16H17ClFN3OS/c1-20(7-2-9-22-13-5-3-12(18)4-6-13)11-14-15(17)19-16-21(14)8-10-23-16/h3-6,8,10H,2,7,9,11H2,1H3
InChIKeyBSWVNFRGBAXJIZ-UHFFFAOYSA-N
XLogP4.09
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 56918257
N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 78870193
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylthiolan-3-amine
CID 75438580
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 46999100
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 82948195
2-(4-fluorophenoxy)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
CID 50834886
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
7-[[4-(4-fluorobenzoyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2440425
6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814131
N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
CID 39967068

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine (CID 46994794) is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine is CN(CCCOc1ccc(F)cc1)Cc1c(Cl)nc2sccn12.
What is the InChIKey of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
The InChIKey is BSWVNFRGBAXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3OS/c1-20(7-2-9-22-13-5-3-12(18)4-6-13)11-14-15(17)19-16-21(14)8-10-23-16/h3-6,8,10H,2,7,9,11H2,1H3.
What are the key properties of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine?
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine has a molecular weight of 353.85 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 46994794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).