2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

C20H15N3O3S — CID 71938461

IUPAC2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H15N3O3S/c24-19(10-13-1-6-17-18(9-13)26-12-25-17)21-15-4-2-14(3-5-15)16-11-23-7-8-27-20(23)22-16/h1-9,11H,10,12H2,(H,21,24)
InChIKeyCZTRLQCKPAVRJB-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.97
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (PubChem CID 71938461) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
PubChem CID71938461
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H15N3O3S/c24-19(10-13-1-6-17-18(9-13)26-12-25-17)21-15-4-2-14(3-5-15)16-11-23-7-8-27-20(23)22-16/h1-9,11H,10,12H2,(H,21,24)
InChIKeyCZTRLQCKPAVRJB-UHFFFAOYSA-N
XLogP3.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936531
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)-2-thiophen-3-ylacetamide
CID 37039093
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 37038934
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 17466488
1-(1,3-benzodioxol-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 71942654
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 30846222
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 2999117

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (CID 71938461) is 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The InChIKey is CZTRLQCKPAVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-19(10-13-1-6-17-18(9-13)26-12-25-17)21-15-4-2-14(3-5-15)16-11-23-7-8-27-20(23)22-16/h1-9,11H,10,12H2,(H,21,24).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is sourced from PubChem (CID 71938461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).