2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide

C15H17Cl2N3OS — CID 67349502

IUPAC2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
SMILESCN1/C(=N/C2CC2)SCC1CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H17Cl2N3OS/c1-20-13(8-22-15(20)19-11-2-3-11)7-14(21)18-12-5-9(16)4-10(17)6-12/h4-6,11,13H,2-3,7-8H2,1H3,(H,18,21)/b19-15-
InChIKeyRERCKYUBIRGVQV-CYVLTUHYSA-N
MW358.29 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide

2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 67349502) has the molecular formula C15H17Cl2N3OS and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
PubChem CID67349502
Molecular FormulaC15H17Cl2N3OS
Molecular Weight358.29 g/mol
Exact Mass357.05
IUPAC Name2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
SMILESCN1/C(=N/C2CC2)SCC1CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H17Cl2N3OS/c1-20-13(8-22-15(20)19-11-2-3-11)7-14(21)18-12-5-9(16)4-10(17)6-12/h4-6,11,13H,2-3,7-8H2,1H3,(H,18,21)/b19-15-
InChIKeyRERCKYUBIRGVQV-CYVLTUHYSA-N
XLogP3.89
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 53.89
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

N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348368
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 67347315
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
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-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide (CID 67349502) is 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide is CN1/C(=N/C2CC2)SCC1CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is RERCKYUBIRGVQV-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H17Cl2N3OS/c1-20-13(8-22-15(20)19-11-2-3-11)7-14(21)18-12-5-9(16)4-10(17)6-12/h4-6,11,13H,2-3,7-8H2,1H3,(H,18,21)/b19-15-.
What are the key properties of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 358.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 67349502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).