2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole

C14H13N3OS — CID 14067638

IUPAC2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cn3c(n2)sc2ccccc23)=N1
InChIInChI=1S/C14H13N3OS/c1-14(2)8-18-12(16-14)9-7-17-10-5-3-4-6-11(10)19-13(17)15-9/h3-7H,8H2,1-2H3
InChIKeyOYSSTWPQWYRNEH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.10
Rot. Bonds1

About 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole

2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14067638) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14067638
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cn3c(n2)sc2ccccc23)=N1
InChIInChI=1S/C14H13N3OS/c1-14(2)8-18-12(16-14)9-7-17-10-5-3-4-6-11(10)19-13(17)15-9/h3-7H,8H2,1-2H3
InChIKeyOYSSTWPQWYRNEH-UHFFFAOYSA-N
XLogP3.10
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole (CID 14067638) is 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cn3c(n2)sc2ccccc23)=N1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OYSSTWPQWYRNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-14(2)8-18-12(16-14)9-7-17-10-5-3-4-6-11(10)19-13(17)15-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole?
2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).