N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine

C18H23N3S — CID 3913312

IUPACN-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1c(-c2ccc(C)cc2)nc2sccn12
InChIInChI=1S/C18H23N3S/c1-4-5-10-20(3)13-16-17(15-8-6-14(2)7-9-15)19-18-21(16)11-12-22-18/h6-9,11-12H,4-5,10,13H2,1-3H3
InChIKeyFQSMGJRCJJMTFA-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.60
Rot. Bonds6

About N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine

N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine (PubChem CID 3913312) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
PubChem CID3913312
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC NameN-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1c(-c2ccc(C)cc2)nc2sccn12
InChIInChI=1S/C18H23N3S/c1-4-5-10-20(3)13-16-17(15-8-6-14(2)7-9-15)19-18-21(16)11-12-22-18/h6-9,11-12H,4-5,10,13H2,1-3H3
InChIKeyFQSMGJRCJJMTFA-UHFFFAOYSA-N
XLogP4.60
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
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
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 142505488
4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 92858211
1-(2-methoxyphenyl)-N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 24593929
5-(2-aminopropyl)-N-methyl-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63815102
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 46994794
CID 89392602
CID 89392602
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82060205
2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid
CID 122100367
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine (CID 3913312) is N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine is CCCCN(C)Cc1c(-c2ccc(C)cc2)nc2sccn12.
What is the InChIKey of N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is FQSMGJRCJJMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-4-5-10-20(3)13-16-17(15-8-6-14(2)7-9-15)19-18-21(16)11-12-22-18/h6-9,11-12H,4-5,10,13H2,1-3H3.
What are the key properties of N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine?
N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 4.60, 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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 3913312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).