1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone

C11H8Cl2N2OS — CID 116609810

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2nccs2)cc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c12-7-3-6(4-8(13)11(7)14)9(16)5-10-15-1-2-17-10/h1-4H,5,14H2
InChIKeyQZNOOVSTKBRPKT-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone

1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116609810) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116609810
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2nccs2)cc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c12-7-3-6(4-8(13)11(7)14)9(16)5-10-15-1-2-17-10/h1-4H,5,14H2
InChIKeyQZNOOVSTKBRPKT-UHFFFAOYSA-N
XLogP3.46
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116597097
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116609921
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
CID 173067344
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110715983
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 116609810) is 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone is Nc1c(Cl)cc(C(=O)Cc2nccs2)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is QZNOOVSTKBRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c12-7-3-6(4-8(13)11(7)14)9(16)5-10-15-1-2-17-10/h1-4H,5,14H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 287.17 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116609810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).