1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine

C14H14FN3OS — CID 107686523

IUPAC1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cn3ccsc3n2)c(F)c1
InChIInChI=1S/C14H14FN3OS/c1-16-7-10-2-3-13(12(15)6-10)19-9-11-8-18-4-5-20-14(18)17-11/h2-6,8,16H,7,9H2,1H3
InChIKeyMCKYPNNLSVGCOA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds5

About 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 107686523) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID107686523
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cn3ccsc3n2)c(F)c1
InChIInChI=1S/C14H14FN3OS/c1-16-7-10-2-3-13(12(15)6-10)19-9-11-8-18-4-5-20-14(18)17-11/h2-6,8,16H,7,9H2,1H3
InChIKeyMCKYPNNLSVGCOA-UHFFFAOYSA-N
XLogP2.83
TPSA38.56 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331341
4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
CID 71858963
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
CID 115331313
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxyphenyl]ethanol
CID 115332161
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine (CID 107686523) is 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCc2cn3ccsc3n2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is MCKYPNNLSVGCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-16-7-10-2-3-13(12(15)6-10)19-9-11-8-18-4-5-20-14(18)17-11/h2-6,8,16H,7,9H2,1H3.
What are the key properties of 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 291.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107686523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).