5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole

C15H15ClN2O2S — CID 43476188

IUPAC5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
SMILESCOCCc1ccc(Oc2nc3sccn3c2CCl)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-19-8-6-11-2-4-12(5-3-11)20-14-13(10-16)18-7-9-21-15(18)17-14/h2-5,7,9H,6,8,10H2,1H3
InChIKeyDDRLKMWBUBIQKC-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.12
Rot. Bonds6

About 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole (PubChem CID 43476188) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
PubChem CID43476188
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
SMILESCOCCc1ccc(Oc2nc3sccn3c2CCl)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-19-8-6-11-2-4-12(5-3-11)20-14-13(10-16)18-7-9-21-15(18)17-14/h2-5,7,9H,6,8,10H2,1H3
InChIKeyDDRLKMWBUBIQKC-UHFFFAOYSA-N
XLogP4.12
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
2-[6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802425
5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086633
5-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61418071
6-[4-(2-methoxyethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 115403295
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 83135479
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole (CID 43476188) is 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole is COCCc1ccc(Oc2nc3sccn3c2CCl)cc1.
What is the InChIKey of 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
The InChIKey is DDRLKMWBUBIQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-19-8-6-11-2-4-12(5-3-11)20-14-13(10-16)18-7-9-21-15(18)17-14/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole has a molecular weight of 322.82 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 43476188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).