2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide

C18H25N3OS — CID 67347315

IUPAC2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2CS/C(=N\C3CC3)N2C)cc1
InChIInChI=1S/C18H25N3OS/c1-12(2)13-4-6-14(7-5-13)19-17(22)10-16-11-23-18(21(16)3)20-15-8-9-15/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,22)/b20-18-
InChIKeyOFALQWBARYJLGF-ZZEZOPTASA-N
MW331.49 g/mol
LogP3.70
Rot. Bonds5

About 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 67347315) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID67347315
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2CS/C(=N\C3CC3)N2C)cc1
InChIInChI=1S/C18H25N3OS/c1-12(2)13-4-6-14(7-5-13)19-17(22)10-16-11-23-18(21(16)3)20-15-8-9-15/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,22)/b20-18-
InChIKeyOFALQWBARYJLGF-ZZEZOPTASA-N
XLogP3.70
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.70
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-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
CID 67349502
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
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-(3,4-dichlorophenyl)acetamide
CID 67347825
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 67347315) is 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CC2CS/C(=N\C3CC3)N2C)cc1.
What is the InChIKey of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OFALQWBARYJLGF-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H25N3OS/c1-12(2)13-4-6-14(7-5-13)19-17(22)10-16-11-23-18(21(16)3)20-15-8-9-15/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,22)/b20-18-.
What are the key properties of 2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.70, 5 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 67347315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).