1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C13H9Cl2N3OS — CID 116609986

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cn3ccsc3n2)cc1Cl
InChIInChI=1S/C13H9Cl2N3OS/c14-9-3-7(4-10(15)12(9)16)11(19)5-8-6-18-1-2-20-13(18)17-8/h1-4,6H,5,16H2
InChIKeyCGEQTHXGCMSBLU-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.71
Rot. Bonds3

About 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 116609986) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID116609986
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cn3ccsc3n2)cc1Cl
InChIInChI=1S/C13H9Cl2N3OS/c14-9-3-7(4-10(15)12(9)16)11(19)5-8-6-18-1-2-20-13(18)17-8/h1-4,6H,5,16H2
InChIKeyCGEQTHXGCMSBLU-UHFFFAOYSA-N
XLogP3.71
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953
1-(4-chloro-3-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 107996572
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116609921
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
CID 105123048
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-amino-3-chlorobenzoate
CID 79726580
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
1-(2,3-dihydro-1H-indol-6-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116612096
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 116609986) is 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is Nc1c(Cl)cc(C(=O)Cc2cn3ccsc3n2)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is CGEQTHXGCMSBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-9-3-7(4-10(15)12(9)16)11(19)5-8-6-18-1-2-20-13(18)17-8/h1-4,6H,5,16H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 326.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 116609986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).