1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

C15H16FN3S — CID 115333502

IUPAC1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H16FN3S/c1-10-7-11(3-4-13(10)16)14(17-2)8-12-9-19-5-6-20-15(19)18-12/h3-7,9,14,17H,8H2,1-2H3
InChIKeyCKDRSRUGGXMAGU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (PubChem CID 115333502) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
PubChem CID115333502
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H16FN3S/c1-10-7-11(3-4-13(10)16)14(17-2)8-12-9-19-5-6-20-15(19)18-12/h3-7,9,14,17H,8H2,1-2H3
InChIKeyCKDRSRUGGXMAGU-UHFFFAOYSA-N
XLogP3.35
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105023446
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 82789604
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541
[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258306
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 115333927
1-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
[1-(5-fluoro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105211512
1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
1-(2,6-difluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 105023533
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (CID 115333502) is 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is CNC(Cc1cn2ccsc2n1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The InChIKey is CKDRSRUGGXMAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-10-7-11(3-4-13(10)16)14(17-2)8-12-9-19-5-6-20-15(19)18-12/h3-7,9,14,17H,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is sourced from PubChem (CID 115333502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).