N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine

C16H18FN3S — CID 43625718

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESCc1cn2c(CNCCc3ccc(F)cc3)c(C)nc2s1
InChIInChI=1S/C16H18FN3S/c1-11-10-20-15(12(2)19-16(20)21-11)9-18-8-7-13-3-5-14(17)6-4-13/h3-6,10,18H,7-9H2,1-2H3
InChIKeyRECNVNZPDLJPHD-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.48
Rot. Bonds5

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 43625718) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID43625718
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESCc1cn2c(CNCCc3ccc(F)cc3)c(C)nc2s1
InChIInChI=1S/C16H18FN3S/c1-11-10-20-15(12(2)19-16(20)21-11)9-18-8-7-13-3-5-14(17)6-4-13/h3-6,10,18H,7-9H2,1-2H3
InChIKeyRECNVNZPDLJPHD-UHFFFAOYSA-N
XLogP3.48
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine (CID 43625718) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine is Cc1cn2c(CNCCc3ccc(F)cc3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is RECNVNZPDLJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-11-10-20-15(12(2)19-16(20)21-11)9-18-8-7-13-3-5-14(17)6-4-13/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43625718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).