1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea

C20H16N4O3S — CID 43936531

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N4O3S/c25-19(22-15-5-6-17-18(11-15)27-9-8-26-17)21-14-3-1-13(2-4-14)16-12-24-7-10-28-20(24)23-16/h1-7,10-12H,8-9H2,(H2,21,22,25)
InChIKeyZZKVBZWSCKVLQO-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.48
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea (PubChem CID 43936531) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
PubChem CID43936531
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N4O3S/c25-19(22-15-5-6-17-18(11-15)27-9-8-26-17)21-14-3-1-13(2-4-14)16-12-24-7-10-28-20(24)23-16/h1-7,10-12H,8-9H2,(H2,21,22,25)
InChIKeyZZKVBZWSCKVLQO-UHFFFAOYSA-N
XLogP4.48
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 71938461
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
1-(1,3-benzodioxol-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 71942654
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 27286699
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 17466488
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
CID 120917971
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
1-cyano-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide
CID 29240895
3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 30535436

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea (CID 43936531) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The InChIKey is ZZKVBZWSCKVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-19(22-15-5-6-17-18(11-15)27-9-8-26-17)21-14-3-1-13(2-4-14)16-12-24-7-10-28-20(24)23-16/h1-7,10-12H,8-9H2,(H2,21,22,25).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea has a molecular weight of 392.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea is sourced from PubChem (CID 43936531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).