N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

C13H12BrN3O2S — CID 2939488

IUPACN-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
SMILESO=C(CC1SC2=NCCN2C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O2S/c14-8-1-3-9(4-2-8)16-11(18)7-10-12(19)17-6-5-15-13(17)20-10/h1-4,10H,5-7H2,(H,16,18)
InChIKeyZWIWEKYGJZRHHP-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.09
Rot. Bonds3

About N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide

N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide (PubChem CID 2939488) has the molecular formula C13H12BrN3O2S and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
PubChem CID2939488
Molecular FormulaC13H12BrN3O2S
Molecular Weight354.23 g/mol
Exact Mass352.98
IUPAC NameN-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
SMILESO=C(CC1SC2=NCCN2C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O2S/c14-8-1-3-9(4-2-8)16-11(18)7-10-12(19)17-6-5-15-13(17)20-10/h1-4,10H,5-7H2,(H,16,18)
InChIKeyZWIWEKYGJZRHHP-UHFFFAOYSA-N
XLogP2.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide (CID 2939488) is N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide is O=C(CC1SC2=NCCN2C1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
The InChIKey is ZWIWEKYGJZRHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2S/c14-8-1-3-9(4-2-8)16-11(18)7-10-12(19)17-6-5-15-13(17)20-10/h1-4,10H,5-7H2,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide?
N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide has a molecular weight of 354.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 2939488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).