acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C13H16N2O2S — CID 71331973

IUPACacetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC(=O)O.c1ccc(C2CN3CCSC3=N2)cc1
InChIInChI=1S/C11H12N2S.C2H4O2/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-2(3)4/h1-5,10H,6-8H2;1H3,(H,3,4)
InChIKeyHLVXRMWOAXTQLC-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.24
Rot. Bonds1

About acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 71331973) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Nameacetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID71331973
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nameacetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCC(=O)O.c1ccc(C2CN3CCSC3=N2)cc1
InChIInChI=1S/C11H12N2S.C2H4O2/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-2(3)4/h1-5,10H,6-8H2;1H3,(H,3,4)
InChIKeyHLVXRMWOAXTQLC-UHFFFAOYSA-N
XLogP2.24
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole 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 acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 71331973) is acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CC(=O)O.c1ccc(C2CN3CCSC3=N2)cc1.
What is the InChIKey of acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is HLVXRMWOAXTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.C2H4O2/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-2(3)4/h1-5,10H,6-8H2;1H3,(H,3,4).
What are the key properties of acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 264.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 71331973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).