N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C19H15N3O3S — CID 7151261

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O3S/c23-18(13-4-5-16-17(9-13)25-11-24-16)20-14-3-1-2-12(8-14)15-10-22-6-7-26-19(22)21-15/h1-5,8-10H,6-7,11H2,(H,20,23)
InChIKeyOBEIMTKNOOWYOM-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.64
Rot. Bonds3

About N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7151261) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7151261
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O3S/c23-18(13-4-5-16-17(9-13)25-11-24-16)20-14-3-1-2-12(8-14)15-10-22-6-7-26-19(22)21-15/h1-5,8-10H,6-7,11H2,(H,20,23)
InChIKeyOBEIMTKNOOWYOM-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide 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 N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 7151261) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OBEIMTKNOOWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-18(13-4-5-16-17(9-13)25-11-24-16)20-14-3-1-2-12(8-14)15-10-22-6-7-26-19(22)21-15/h1-5,8-10H,6-7,11H2,(H,20,23).
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7151261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).