2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C15H16N2OS — CID 94697644

IUPAC2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCc1ccc(-c2c(CCO)sc3nccn23)cc1C
InChIInChI=1S/C15H16N2OS/c1-10-3-4-12(9-11(10)2)14-13(5-8-18)19-15-16-6-7-17(14)15/h3-4,6-7,9,18H,5,8H2,1-2H3
InChIKeyFUVBMVZSVOWYKC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.21
Rot. Bonds3

About 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol

2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 94697644) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID94697644
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCc1ccc(-c2c(CCO)sc3nccn23)cc1C
InChIInChI=1S/C15H16N2OS/c1-10-3-4-12(9-11(10)2)14-13(5-8-18)19-15-16-6-7-17(14)15/h3-4,6-7,9,18H,5,8H2,1-2H3
InChIKeyFUVBMVZSVOWYKC-UHFFFAOYSA-N
XLogP3.21
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 94697644) is 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol is Cc1ccc(-c2c(CCO)sc3nccn23)cc1C.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is FUVBMVZSVOWYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-3-4-12(9-11(10)2)14-13(5-8-18)19-15-16-6-7-17(14)15/h3-4,6-7,9,18H,5,8H2,1-2H3.
What are the key properties of 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 272.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 94697644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).