5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole

C11H9ClN2OS — CID 82062145

IUPAC5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1sc2ncc(CCl)n2c1-c1ccco1
InChIInChI=1S/C11H9ClN2OS/c1-7-10(9-3-2-4-15-9)14-8(5-12)6-13-11(14)16-7/h2-4,6H,5H2,1H3
InChIKeyREAGSSXXISGSEI-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.70
Rot. Bonds2

About 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 82062145) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole
PubChem CID82062145
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1sc2ncc(CCl)n2c1-c1ccco1
InChIInChI=1S/C11H9ClN2OS/c1-7-10(9-3-2-4-15-9)14-8(5-12)6-13-11(14)16-7/h2-4,6H,5H2,1H3
InChIKeyREAGSSXXISGSEI-UHFFFAOYSA-N
XLogP3.70
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole (CID 82062145) is 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole is Cc1sc2ncc(CCl)n2c1-c1ccco1.
What is the InChIKey of 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is REAGSSXXISGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-10(9-3-2-4-15-9)14-8(5-12)6-13-11(14)16-7/h2-4,6H,5H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 252.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(furan-2-yl)-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 82062145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).