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

C19H27N3OS — CID 67348533

IUPAC2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCC3)N2C)cc1
InChIInChI=1S/C19H27N3OS/c1-14-8-10-16(11-9-14)20-18(23)12-17-13-24-19(22(17)2)21-15-6-4-3-5-7-15/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,20,23)/b21-19-
InChIKeyZGGBSOQWKXKSJQ-VZCXRCSSSA-N
MW345.51 g/mol
LogP4.06
Rot. Bonds4

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

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide (PubChem CID 67348533) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
PubChem CID67348533
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCC3)N2C)cc1
InChIInChI=1S/C19H27N3OS/c1-14-8-10-16(11-9-14)20-18(23)12-17-13-24-19(22(17)2)21-15-6-4-3-5-7-15/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,20,23)/b21-19-
InChIKeyZGGBSOQWKXKSJQ-VZCXRCSSSA-N
XLogP4.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.06
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

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-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
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-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
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-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide (CID 67348533) is 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2CS/C(=N\C3CCCCC3)N2C)cc1.
What is the InChIKey of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is ZGGBSOQWKXKSJQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-14-8-10-16(11-9-14)20-18(23)12-17-13-24-19(22(17)2)21-15-6-4-3-5-7-15/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,20,23)/b21-19-.
What are the key properties of 2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide?
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 345.51 g/mol, XLogP of 4.06, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 67348533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).