2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide

C18H19Cl2N3O2S — CID 73082104

IUPAC2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCON=C1CCC(CC(C(=O)Nc2nccs2)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N3O2S/c1-25-23-13-4-2-11(8-13)9-14(12-3-5-15(19)16(20)10-12)17(24)22-18-21-6-7-26-18/h3,5-7,10-11,14H,2,4,8-9H2,1H3,(H,21,22,24)
InChIKeyMDGRKUBRJZTHCC-UHFFFAOYSA-N
MW412.34 g/mol
LogP5.36
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide

2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 73082104) has the molecular formula C18H19Cl2N3O2S and a molecular weight of 412.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID73082104
Molecular FormulaC18H19Cl2N3O2S
Molecular Weight412.34 g/mol
Exact Mass411.06
IUPAC Name2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCON=C1CCC(CC(C(=O)Nc2nccs2)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N3O2S/c1-25-23-13-4-2-11(8-13)9-14(12-3-5-15(19)16(20)10-12)17(24)22-18-21-6-7-26-18/h3,5-7,10-11,14H,2,4,8-9H2,1H3,(H,21,22,24)
InChIKeyMDGRKUBRJZTHCC-UHFFFAOYSA-N
XLogP5.36
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-3-[(3Z)-3-hydroxyiminocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 10408546
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
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22315205
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
2-(3-cyano-4-methylsulfonylphenyl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 142018504
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide (CID 73082104) is 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide is CON=C1CCC(CC(C(=O)Nc2nccs2)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MDGRKUBRJZTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S/c1-25-23-13-4-2-11(8-13)9-14(12-3-5-15(19)16(20)10-12)17(24)22-18-21-6-7-26-18/h3,5-7,10-11,14H,2,4,8-9H2,1H3,(H,21,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 412.34 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-(3-methoxyiminocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 73082104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).