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

C14H14FN3OS — CID 115957858

IUPAC2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cn2ccsc2n1
InChIInChI=1S/C14H14FN3OS/c15-12-3-1-2-10(4-5-16)13(12)19-9-11-8-18-6-7-20-14(18)17-11/h1-3,6-8H,4-5,9,16H2
InChIKeyYHDZYRAWRNIXCE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds5

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

2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine (PubChem CID 115957858) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
PubChem CID115957858
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cn2ccsc2n1
InChIInChI=1S/C14H14FN3OS/c15-12-3-1-2-10(4-5-16)13(12)19-9-11-8-18-6-7-20-14(18)17-11/h1-3,6-8H,4-5,9,16H2
InChIKeyYHDZYRAWRNIXCE-UHFFFAOYSA-N
XLogP2.62
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
2-[(2-fluorophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334246
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116577576
[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 107741325
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
1-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-2-amine
CID 114833688
3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 112611429
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine (CID 115957858) is 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine is NCCc1cccc(F)c1OCc1cn2ccsc2n1.
What is the InChIKey of 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine?
The InChIKey is YHDZYRAWRNIXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-12-3-1-2-10(4-5-16)13(12)19-9-11-8-18-6-7-20-14(18)17-11/h1-3,6-8H,4-5,9,16H2.
What are the key properties of 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine?
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine has a molecular weight of 291.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 115957858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).