5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C15H17BrN4S — CID 63786892

IUPAC5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccc(Br)cc1)c1nc2sccn2c1CCN
InChIInChI=1S/C15H17BrN4S/c1-19(10-11-2-4-12(16)5-3-11)14-13(6-7-17)20-8-9-21-15(20)18-14/h2-5,8-9H,6-7,10,17H2,1H3
InChIKeyHWAGFKPNKRCLGR-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.30
Rot. Bonds5

About 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63786892) has the molecular formula C15H17BrN4S and a molecular weight of 365.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63786892
Molecular FormulaC15H17BrN4S
Molecular Weight365.30 g/mol
Exact Mass364.04
IUPAC Name5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccc(Br)cc1)c1nc2sccn2c1CCN
InChIInChI=1S/C15H17BrN4S/c1-19(10-11-2-4-12(16)5-3-11)14-13(6-7-17)20-8-9-21-15(20)18-14/h2-5,8-9H,6-7,10,17H2,1H3
InChIKeyHWAGFKPNKRCLGR-UHFFFAOYSA-N
XLogP3.30
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
6-(4-Bromophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 764271
3-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazole
CID 4574587
4-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 877648
6-Methyl-7-(2-methylbenzyl)imidazo[2,1-b][1,3]thiazol-7-ium bromide
CID 2828874
2-Benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991413
4-(2,4-dimethylimidazol-1-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 16086276
N-(4-bromophenyl)-4-(2,4-dimethylimidazol-1-yl)-1,3-thiazol-2-amine
CID 16086299
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine
CID 47060553
1-[[3-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea
CID 118716435
1-Benzyl-3-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
CID 118716436
N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 155567338

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 63786892) is 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CN(Cc1ccc(Br)cc1)c1nc2sccn2c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HWAGFKPNKRCLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4S/c1-19(10-11-2-4-12(16)5-3-11)14-13(6-7-17)20-8-9-21-15(20)18-14/h2-5,8-9H,6-7,10,17H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 365.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63786892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).