N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide

C12H9Cl2N3O2S — CID 82832519

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
SMILESCC(=O)c1csc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2S/c1-5(18)9-4-20-12(16-9)17-11(19)6-2-7(13)10(15)8(14)3-6/h2-4H,15H2,1H3,(H,16,17,19)
InChIKeyZKQBOAQPZMXBNI-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.49
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide (PubChem CID 82832519) has the molecular formula C12H9Cl2N3O2S and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
PubChem CID82832519
Molecular FormulaC12H9Cl2N3O2S
Molecular Weight330.20 g/mol
Exact Mass328.98
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
SMILESCC(=O)c1csc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2S/c1-5(18)9-4-20-12(16-9)17-11(19)6-2-7(13)10(15)8(14)3-6/h2-4H,15H2,1H3,(H,16,17,19)
InChIKeyZKQBOAQPZMXBNI-UHFFFAOYSA-N
XLogP3.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
CID 81003654
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
3,5-dichloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77047033
N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619701
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746
N-(4-acetyl-1,3-thiazol-2-yl)-3-fluoro-5-nitrobenzamide
CID 78953289
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103893084

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide (CID 82832519) is N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide is CC(=O)c1csc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide?
The InChIKey is ZKQBOAQPZMXBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S/c1-5(18)9-4-20-12(16-9)17-11(19)6-2-7(13)10(15)8(14)3-6/h2-4H,15H2,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide has a molecular weight of 330.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide is sourced from PubChem (CID 82832519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).