N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine

C17H21N3S — CID 3916899

IUPACN-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCN(C)Cc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C17H21N3S/c1-3-4-10-19(2)13-15-16(14-8-6-5-7-9-14)18-17-20(15)11-12-21-17/h5-9,11-12H,3-4,10,13H2,1-2H3
InChIKeyIPEAOAPLYMTUQY-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.29
Rot. Bonds6

About N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine

N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine (PubChem CID 3916899) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
PubChem CID3916899
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCN(C)Cc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C17H21N3S/c1-3-4-10-19(2)13-15-16(14-8-6-5-7-9-14)18-17-20(15)11-12-21-17/h5-9,11-12H,3-4,10,13H2,1-2H3
InChIKeyIPEAOAPLYMTUQY-UHFFFAOYSA-N
XLogP4.29
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
CID 3913312
1-(2-methoxyphenyl)-N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 24593929
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
CID 4880467
4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 92858211
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 142505488
3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121631
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
1-(2-chlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 24594113
N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
CID 113223941

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine (CID 3916899) is N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine is CCCCN(C)Cc1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is IPEAOAPLYMTUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-4-10-19(2)13-15-16(14-8-6-5-7-9-14)18-17-20(15)11-12-21-17/h5-9,11-12H,3-4,10,13H2,1-2H3.
What are the key properties of N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine?
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 3916899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).