6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole

C14H14N2S — CID 3805128

IUPAC6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCCc1ccc(-c2cn3cc(C)sc3n2)cc1
InChIInChI=1S/C14H14N2S/c1-3-11-4-6-12(7-5-11)13-9-16-8-10(2)17-14(16)15-13/h4-9H,3H2,1-2H3
InChIKeyHHAGKSVQAHBKSM-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.93
Rot. Bonds2

About 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole

6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 3805128) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole
PubChem CID3805128
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCCc1ccc(-c2cn3cc(C)sc3n2)cc1
InChIInChI=1S/C14H14N2S/c1-3-11-4-6-12(7-5-11)13-9-16-8-10(2)17-14(16)15-13/h4-9H,3H2,1-2H3
InChIKeyHHAGKSVQAHBKSM-UHFFFAOYSA-N
XLogP3.93
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole (CID 3805128) is 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole is CCc1ccc(-c2cn3cc(C)sc3n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is HHAGKSVQAHBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-3-11-4-6-12(7-5-11)13-9-16-8-10(2)17-14(16)15-13/h4-9H,3H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 242.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3805128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).