6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

C12H9ClN2S — CID 868206

IUPAC6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2cc(-c3cccc(Cl)c3)nc2s1
InChIInChI=1S/C12H9ClN2S/c1-8-6-15-7-11(14-12(15)16-8)9-3-2-4-10(13)5-9/h2-7H,1H3
InChIKeyGTWNWVFCRXUSRC-UHFFFAOYSA-N
MW248.74 g/mol
LogP4.02
Rot. Bonds1

About 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 868206) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
PubChem CID868206
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2cc(-c3cccc(Cl)c3)nc2s1
InChIInChI=1S/C12H9ClN2S/c1-8-6-15-7-11(14-12(15)16-8)9-3-2-4-10(13)5-9/h2-7H,1H3
InChIKeyGTWNWVFCRXUSRC-UHFFFAOYSA-N
XLogP4.02
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole (CID 868206) is 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole is Cc1cn2cc(-c3cccc(Cl)c3)nc2s1.
What is the InChIKey of 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is GTWNWVFCRXUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c1-8-6-15-7-11(14-12(15)16-8)9-3-2-4-10(13)5-9/h2-7H,1H3.
What are the key properties of 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 248.74 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 868206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).