2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide

C26H37N3OS — CID 67349153

IUPAC2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CC2CS/C(=N/C3C4CC5CC(C4)CC3C5)N2C)cc1
InChIInChI=1S/C26H37N3OS/c1-3-4-5-17-6-8-22(9-7-17)27-24(30)15-23-16-31-26(29(23)2)28-25-20-11-18-10-19(13-20)14-21(25)12-18/h6-9,18-21,23,25H,3-5,10-16H2,1-2H3,(H,27,30)/b28-26+
InChIKeyUTVJDZWPSQZMPI-BYCLXTJYSA-N
MW439.67 g/mol
LogP5.59
Rot. Bonds7

About 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide

2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide (PubChem CID 67349153) has the molecular formula C26H37N3OS and a molecular weight of 439.67 g/mol. Its IUPAC name is 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide
PubChem CID67349153
Molecular FormulaC26H37N3OS
Molecular Weight439.67 g/mol
Exact Mass439.27
IUPAC Name2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CC2CS/C(=N/C3C4CC5CC(C4)CC3C5)N2C)cc1
InChIInChI=1S/C26H37N3OS/c1-3-4-5-17-6-8-22(9-7-17)27-24(30)15-23-16-31-26(29(23)2)28-25-20-11-18-10-19(13-20)14-21(25)12-18/h6-9,18-21,23,25H,3-5,10-16H2,1-2H3,(H,27,30)/b28-26+
InChIKeyUTVJDZWPSQZMPI-BYCLXTJYSA-N
XLogP5.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.67
LogP ≤ 55.59
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-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide;hydrochloride
CID 67348291
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868480
2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67349158
2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazolidin-4-yl]-N-(4-ethylphenyl)acetamide;hydrochloride
CID 67349545
2-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67349157
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
CID 67349502
2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
CID 67349095
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide (CID 67349153) is 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)CC2CS/C(=N/C3C4CC5CC(C4)CC3C5)N2C)cc1.
What is the InChIKey of 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide?
The InChIKey is UTVJDZWPSQZMPI-BYCLXTJYSA-N. The full InChI is InChI=1S/C26H37N3OS/c1-3-4-5-17-6-8-22(9-7-17)27-24(30)15-23-16-31-26(29(23)2)28-25-20-11-18-10-19(13-20)14-21(25)12-18/h6-9,18-21,23,25H,3-5,10-16H2,1-2H3,(H,27,30)/b28-26+.
What are the key properties of 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide?
2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide has a molecular weight of 439.67 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 67349153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).