2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide

C18H23Cl2N3OS — CID 67347825

IUPAC2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
SMILESCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3OS/c1-23-14(11-25-18(23)22-12-5-3-2-4-6-12)10-17(24)21-13-7-8-15(19)16(20)9-13/h7-9,12,14H,2-6,10-11H2,1H3,(H,21,24)/b22-18-
InChIKeyLAXHMFNRNTZQHC-PYCFMQQDSA-N
MW400.38 g/mol
LogP5.06
Rot. Bonds4

About 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 67347825) has the molecular formula C18H23Cl2N3OS and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
PubChem CID67347825
Molecular FormulaC18H23Cl2N3OS
Molecular Weight400.38 g/mol
Exact Mass399.09
IUPAC Name2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
SMILESCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3OS/c1-23-14(11-25-18(23)22-12-5-3-2-4-6-12)10-17(24)21-13-7-8-15(19)16(20)9-13/h7-9,12,14H,2-6,10-11H2,1H3,(H,21,24)/b22-18-
InChIKeyLAXHMFNRNTZQHC-PYCFMQQDSA-N
XLogP5.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
CID 67349502
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 67347315
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348368

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide (CID 67347825) is 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide is CN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is LAXHMFNRNTZQHC-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H23Cl2N3OS/c1-23-14(11-25-18(23)22-12-5-3-2-4-6-12)10-17(24)21-13-7-8-15(19)16(20)9-13/h7-9,12,14H,2-6,10-11H2,1H3,(H,21,24)/b22-18-.
What are the key properties of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide?
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 400.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 67347825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).