N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C23H35N3OS — CID 67350989

IUPACN-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCCCCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCCC3)N2C)cc1
InChIInChI=1S/C23H35N3OS/c1-3-4-9-18-12-14-20(15-13-18)24-22(27)16-21-17-28-23(26(21)2)25-19-10-7-5-6-8-11-19/h12-15,19,21H,3-11,16-17H2,1-2H3,(H,24,27)/b25-23-
InChIKeyLLJANHBHDWBODK-BZZOAKBMSA-N
MW401.62 g/mol
LogP5.48
Rot. Bonds7

About N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67350989) has the molecular formula C23H35N3OS and a molecular weight of 401.62 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67350989
Molecular FormulaC23H35N3OS
Molecular Weight401.62 g/mol
Exact Mass401.25
IUPAC NameN-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCCCCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCCC3)N2C)cc1
InChIInChI=1S/C23H35N3OS/c1-3-4-9-18-12-14-20(15-13-18)24-22(27)16-21-17-28-23(26(21)2)25-19-10-7-5-6-8-11-19/h12-15,19,21H,3-11,16-17H2,1-2H3,(H,24,27)/b25-23-
InChIKeyLLJANHBHDWBODK-BZZOAKBMSA-N
XLogP5.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.62
LogP ≤ 55.48
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-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-methylphenyl)acetamide
CID 67348533
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide
CID 67349153
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
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-propan-2-ylphenyl)acetamide
CID 67347315
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67350989) is N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CCCCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCCC3)N2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is LLJANHBHDWBODK-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H35N3OS/c1-3-4-9-18-12-14-20(15-13-18)24-22(27)16-21-17-28-23(26(21)2)25-19-10-7-5-6-8-11-19/h12-15,19,21H,3-11,16-17H2,1-2H3,(H,24,27)/b25-23-.
What are the key properties of N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 401.62 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67350989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).