2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide

C17H17Cl2N3O2S — CID 10408546

IUPAC2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CC/C(=N/O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2S/c18-14-4-2-11(9-15(14)19)13(8-10-1-3-12(7-10)22-24)16(23)21-17-20-5-6-25-17/h2,4-6,9-10,13,24H,1,3,7-8H2,(H,20,21,23)/b22-12-
InChIKeyZFOTWHZMUCAEPC-UUYOSTAYSA-N
MW398.32 g/mol
LogP5.19
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide

2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 10408546) has the molecular formula C17H17Cl2N3O2S and a molecular weight of 398.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID10408546
Molecular FormulaC17H17Cl2N3O2S
Molecular Weight398.32 g/mol
Exact Mass397.04
IUPAC Name2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CC/C(=N/O)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2S/c18-14-4-2-11(9-15(14)19)13(8-10-1-3-12(7-10)22-24)16(23)21-17-20-5-6-25-17/h2,4-6,9-10,13,24H,1,3,7-8H2,(H,20,21,23)/b22-12-
InChIKeyZFOTWHZMUCAEPC-UUYOSTAYSA-N
XLogP5.19
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.32
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide 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

2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
CID 73082104
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
2-(3,4-dichlorophenyl)-3-(3-hydroxycyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
CID 10000139
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22315205
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide
CID 10028337
[4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2-(hydroxyamino)phenyl]methanesulfinate
CID 174372789

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide (CID 10408546) is 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CC/C(=N/O)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZFOTWHZMUCAEPC-UUYOSTAYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S/c18-14-4-2-11(9-15(14)19)13(8-10-1-3-12(7-10)22-24)16(23)21-17-20-5-6-25-17/h2,4-6,9-10,13,24H,1,3,7-8H2,(H,20,21,23)/b22-12-.
What are the key properties of 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide?
2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 398.32 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 10408546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).