(6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone

C18H14N2OS — CID 14067628

IUPAC(6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone
SMILESCCc1ccc2c(c1)sc1nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C18H14N2OS/c1-2-12-8-9-15-16(10-12)22-18-19-14(11-20(15)18)17(21)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyVOMUIZAFFXJSDB-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.34
Rot. Bonds3

About (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone

(6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone (PubChem CID 14067628) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone
PubChem CID14067628
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name(6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone
SMILESCCc1ccc2c(c1)sc1nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C18H14N2OS/c1-2-12-8-9-15-16(10-12)22-18-19-14(11-20(15)18)17(21)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyVOMUIZAFFXJSDB-UHFFFAOYSA-N
XLogP4.34
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone 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 (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone?
The IUPAC name of (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone (CID 14067628) is (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone.
What is the SMILES notation for (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone?
The canonical SMILES for (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone is CCc1ccc2c(c1)sc1nc(C(=O)c3ccccc3)cn12.
What is the InChIKey of (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone?
The InChIKey is VOMUIZAFFXJSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-2-12-8-9-15-16(10-12)22-18-19-14(11-20(15)18)17(21)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone?
(6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone has a molecular weight of 306.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone is sourced from PubChem (CID 14067628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).