5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole

C10H9ClN4S — CID 62489178

IUPAC5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccn(-c2nc3sccn3c2CCl)n1
InChIInChI=1S/C10H9ClN4S/c1-7-2-3-15(13-7)9-8(6-11)14-4-5-16-10(14)12-9/h2-5H,6H2,1H3
InChIKeyIULYUTKPSHVDGV-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.63
Rot. Bonds2

About 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 62489178) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID62489178
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccn(-c2nc3sccn3c2CCl)n1
InChIInChI=1S/C10H9ClN4S/c1-7-2-3-15(13-7)9-8(6-11)14-4-5-16-10(14)12-9/h2-5H,6H2,1H3
InChIKeyIULYUTKPSHVDGV-UHFFFAOYSA-N
XLogP2.63
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.63
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-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole (CID 62489178) is 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole is Cc1ccn(-c2nc3sccn3c2CCl)n1.
What is the InChIKey of 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is IULYUTKPSHVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-7-2-3-15(13-7)9-8(6-11)14-4-5-16-10(14)12-9/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 252.73 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(3-methylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 62489178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).