2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine

C16H18BrN3S — CID 115334298

IUPAC2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
SMILESCNCC(Cc1cn2ccsc2n1)Cc1ccccc1Br
InChIInChI=1S/C16H18BrN3S/c1-18-10-12(8-13-4-2-3-5-15(13)17)9-14-11-20-6-7-21-16(20)19-14/h2-7,11-12,18H,8-10H2,1H3
InChIKeyPAULSGLXONKCBK-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.78
Rot. Bonds6

About 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine

2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine (PubChem CID 115334298) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
PubChem CID115334298
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC Name2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
SMILESCNCC(Cc1cn2ccsc2n1)Cc1ccccc1Br
InChIInChI=1S/C16H18BrN3S/c1-18-10-12(8-13-4-2-3-5-15(13)17)9-14-11-20-6-7-21-16(20)19-14/h2-7,11-12,18H,8-10H2,1H3
InChIKeyPAULSGLXONKCBK-UHFFFAOYSA-N
XLogP3.78
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 115333611
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
CID 113289311
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
2-[(2-fluorophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334246
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115331528

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine (CID 115334298) is 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine is CNCC(Cc1cn2ccsc2n1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
The InChIKey is PAULSGLXONKCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c1-18-10-12(8-13-4-2-3-5-15(13)17)9-14-11-20-6-7-21-16(20)19-14/h2-7,11-12,18H,8-10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine?
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine has a molecular weight of 364.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine is sourced from PubChem (CID 115334298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).