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

C11H9ClN2OS — CID 112642327

IUPAC1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESNc1cc(Cl)ccc1C(=O)Cc1cncs1
InChIInChI=1S/C11H9ClN2OS/c12-7-1-2-9(10(13)3-7)11(15)4-8-5-14-6-16-8/h1-3,5-6H,4,13H2
InChIKeyHALPHDOWZDOTHM-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.80
Rot. Bonds3

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

1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642327) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642327
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESNc1cc(Cl)ccc1C(=O)Cc1cncs1
InChIInChI=1S/C11H9ClN2OS/c12-7-1-2-9(10(13)3-7)11(15)4-8-5-14-6-16-8/h1-3,5-6H,4,13H2
InChIKeyHALPHDOWZDOTHM-UHFFFAOYSA-N
XLogP2.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796085
1-(4-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642228
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 64915581
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
1-(6-amino-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 130646624
1-(2-amino-4-chlorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868499
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
bis(2-amino-4-chlorophenyl)methanone
CID 15130044

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642327) is 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone is Nc1cc(Cl)ccc1C(=O)Cc1cncs1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is HALPHDOWZDOTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-1-2-9(10(13)3-7)11(15)4-8-5-14-6-16-8/h1-3,5-6H,4,13H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 252.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).