(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol

C17H18ClN3O3S — CID 166256198

IUPAC(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@@H]1O
InChIInChI=1S/C17H18ClN3O3S/c18-11-3-1-10(2-4-11)15-12(21-5-6-25-17(21)19-15)7-20-8-13(22)16(24)14(23)9-20/h1-6,13-14,16,22-24H,7-9H2/t13-,14+,16?
InChIKeyXIIYVGILRGAJIZ-MZBDJJRSSA-N
MW379.87 g/mol
LogP1.61
Rot. Bonds3

About (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol

(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol (PubChem CID 166256198) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
PubChem CID166256198
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@@H]1O
InChIInChI=1S/C17H18ClN3O3S/c18-11-3-1-10(2-4-11)15-12(21-5-6-25-17(21)19-15)7-20-8-13(22)16(24)14(23)9-20/h1-6,13-14,16,22-24H,7-9H2/t13-,14+,16?
InChIKeyXIIYVGILRGAJIZ-MZBDJJRSSA-N
XLogP1.61
TPSA81.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120646
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 86931065
4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 126787896
ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
CID 31405483
7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 166229916
2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid
CID 122100367
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
CID 89392602
CID 89392602
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225
6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 24594004
6-(4-chlorophenyl)-5-[2-(3,4-dichlorophenyl)ethoxymethyl]imidazo[2,1-b][1,3]thiazole
CID 142505454
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol (CID 166256198) is (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol is OC1[C@H](O)CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@@H]1O.
What is the InChIKey of (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is XIIYVGILRGAJIZ-MZBDJJRSSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-11-3-1-10(2-4-11)15-12(21-5-6-25-17(21)19-15)7-20-8-13(22)16(24)14(23)9-20/h1-6,13-14,16,22-24H,7-9H2/t13-,14+,16?.
What are the key properties of (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol?
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 379.87 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 166256198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).