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

C16H16N2O2S — CID 83970052

IUPAC2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1ccc(Cc2sc3nc(C(=O)O)cn3c2C)cc1
InChIInChI=1S/C16H16N2O2S/c1-3-11-4-6-12(7-5-11)8-14-10(2)18-9-13(15(19)20)17-16(18)21-14/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyQUBQWSRCTOBMDT-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.56
Rot. Bonds4

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

2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 83970052) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID83970052
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1ccc(Cc2sc3nc(C(=O)O)cn3c2C)cc1
InChIInChI=1S/C16H16N2O2S/c1-3-11-4-6-12(7-5-11)8-14-10(2)18-9-13(15(19)20)17-16(18)21-14/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyQUBQWSRCTOBMDT-UHFFFAOYSA-N
XLogP3.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 83970052) is 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCc1ccc(Cc2sc3nc(C(=O)O)cn3c2C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is QUBQWSRCTOBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-11-4-6-12(7-5-11)8-14-10(2)18-9-13(15(19)20)17-16(18)21-14/h4-7,9H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 83970052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).