1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C13H14N2OS2 — CID 115332858

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESCc1cc(C(O)Cc2cn3ccsc3n2)c(C)s1
InChIInChI=1S/C13H14N2OS2/c1-8-5-11(9(2)18-8)12(16)6-10-7-15-3-4-17-13(15)14-10/h3-5,7,12,16H,6H2,1-2H3
InChIKeyUSWCEABHSSXZMS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.35
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 115332858) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID115332858
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESCc1cc(C(O)Cc2cn3ccsc3n2)c(C)s1
InChIInChI=1S/C13H14N2OS2/c1-8-5-11(9(2)18-8)12(16)6-10-7-15-3-4-17-13(15)14-10/h3-5,7,12,16H,6H2,1-2H3
InChIKeyUSWCEABHSSXZMS-UHFFFAOYSA-N
XLogP3.35
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 107969828
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791040
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769476
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115828301
1-(5-amino-1H-pyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115333291
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
CID 115828284
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115332817

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 115332858) is 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is Cc1cc(C(O)Cc2cn3ccsc3n2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is USWCEABHSSXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8-5-11(9(2)18-8)12(16)6-10-7-15-3-4-17-13(15)14-10/h3-5,7,12,16H,6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 278.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 115332858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).