2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide

C18H12BrFN2O3S — CID 27669360

IUPAC2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(F)cc1Br
InChIInChI=1S/C18H12BrFN2O3S/c19-13-8-11(20)2-3-12(13)17(23)22-18-21-14(9-26-18)10-1-4-15-16(7-10)25-6-5-24-15/h1-4,7-9H,5-6H2,(H,21,22,23)
InChIKeyOUUCRYLYZSYOOB-UHFFFAOYSA-N
MW435.27 g/mol
LogP4.74
Rot. Bonds3

About 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide

2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 27669360) has the molecular formula C18H12BrFN2O3S and a molecular weight of 435.27 g/mol. Its IUPAC name is 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID27669360
Molecular FormulaC18H12BrFN2O3S
Molecular Weight435.27 g/mol
Exact Mass433.97
IUPAC Name2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(F)cc1Br
InChIInChI=1S/C18H12BrFN2O3S/c19-13-8-11(20)2-3-12(13)17(23)22-18-21-14(9-26-18)10-1-4-15-16(7-10)25-6-5-24-15/h1-4,7-9H,5-6H2,(H,21,22,23)
InChIKeyOUUCRYLYZSYOOB-UHFFFAOYSA-N
XLogP4.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 4853623
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 55388449
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methoxy-5-methylbenzamide
CID 34053840
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84560633
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16832559
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
CID 43077665
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 27669360) is 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is OUUCRYLYZSYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2O3S/c19-13-8-11(20)2-3-12(13)17(23)22-18-21-14(9-26-18)10-1-4-15-16(7-10)25-6-5-24-15/h1-4,7-9H,5-6H2,(H,21,22,23).
What are the key properties of 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 435.27 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 27669360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).