5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C10H14ClN3O2S2 — CID 79849748

IUPAC5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CCS(C)(=O)=O)c1nc2sccn2c1CCl
InChIInChI=1S/C10H14ClN3O2S2/c1-13(4-6-18(2,15)16)9-8(7-11)14-3-5-17-10(14)12-9/h3,5H,4,6-7H2,1-2H3
InChIKeyFBWDAWWPMGGIDK-UHFFFAOYSA-N
MW307.83 g/mol
LogP1.62
Rot. Bonds5

About 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 79849748) has the molecular formula C10H14ClN3O2S2 and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID79849748
Molecular FormulaC10H14ClN3O2S2
Molecular Weight307.83 g/mol
Exact Mass307.02
IUPAC Name5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CCS(C)(=O)=O)c1nc2sccn2c1CCl
InChIInChI=1S/C10H14ClN3O2S2/c1-13(4-6-18(2,15)16)9-8(7-11)14-3-5-17-10(14)12-9/h3,5H,4,6-7H2,1-2H3
InChIKeyFBWDAWWPMGGIDK-UHFFFAOYSA-N
XLogP1.62
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79850296
5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476018
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61418071
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
N'-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700235
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63695584
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476005
6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475795

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 79849748) is 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CN(CCS(C)(=O)=O)c1nc2sccn2c1CCl.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is FBWDAWWPMGGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S2/c1-13(4-6-18(2,15)16)9-8(7-11)14-3-5-17-10(14)12-9/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 307.83 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 79849748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).