5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole

C9H7ClN4S — CID 43476041

IUPAC5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole
SMILESClCc1c(-n2ccnc2)nc2sccn12
InChIInChI=1S/C9H7ClN4S/c10-5-7-8(13-2-1-11-6-13)12-9-14(7)3-4-15-9/h1-4,6H,5H2
InChIKeyHYDYRDXJDSLEOZ-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.32
Rot. Bonds2

About 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 43476041) has the molecular formula C9H7ClN4S and a molecular weight of 238.70 g/mol. Its IUPAC name is 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole
PubChem CID43476041
Molecular FormulaC9H7ClN4S
Molecular Weight238.70 g/mol
Exact Mass238.01
IUPAC Name5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole
SMILESClCc1c(-n2ccnc2)nc2sccn12
InChIInChI=1S/C9H7ClN4S/c10-5-7-8(13-2-1-11-6-13)12-9-14(7)3-4-15-9/h1-4,6H,5H2
InChIKeyHYDYRDXJDSLEOZ-UHFFFAOYSA-N
XLogP2.32
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole (CID 43476041) is 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole is ClCc1c(-n2ccnc2)nc2sccn12.
What is the InChIKey of 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is HYDYRDXJDSLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4S/c10-5-7-8(13-2-1-11-6-13)12-9-14(7)3-4-15-9/h1-4,6H,5H2.
What are the key properties of 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 238.70 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-imidazol-1-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 43476041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).