N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine

C15H16FN3OS — CID 115953331

IUPACN-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1cn2ccsc2n1
InChIInChI=1S/C15H16FN3OS/c1-2-17-8-11-4-3-5-13(16)14(11)20-10-12-9-19-6-7-21-15(19)18-12/h3-7,9,17H,2,8,10H2,1H3
InChIKeyIBLQCCDPVVTGOC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 115953331) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID115953331
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1cn2ccsc2n1
InChIInChI=1S/C15H16FN3OS/c1-2-17-8-11-4-3-5-13(16)14(11)20-10-12-9-19-6-7-21-15(19)18-12/h3-7,9,17H,2,8,10H2,1H3
InChIKeyIBLQCCDPVVTGOC-UHFFFAOYSA-N
XLogP3.22
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115331528
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 115953311
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
CID 115331924
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523
3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 112611429

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine (CID 115953331) is N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCc1cn2ccsc2n1.
What is the InChIKey of N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is IBLQCCDPVVTGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-2-17-8-11-4-3-5-13(16)14(11)20-10-12-9-19-6-7-21-15(19)18-12/h3-7,9,17H,2,8,10H2,1H3.
What are the key properties of N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 305.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 115953331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).