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

C23H31N3O2S — CID 67350737

IUPACN-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2CS/C(=N\C34CC5CC(CC(C5)C3)C4)N2C)cc1
InChIInChI=1S/C23H31N3O2S/c1-15(27)26(19-4-6-20(28-3)7-5-19)21-14-29-22(25(21)2)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18,21H,8-14H2,1-3H3/b24-22-
InChIKeyJRIXNGSIKVVVKR-GYHWCHFESA-N
MW413.59 g/mol
LogP4.38
Rot. Bonds4

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

N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 67350737) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID67350737
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2CS/C(=N\C34CC5CC(CC(C5)C3)C4)N2C)cc1
InChIInChI=1S/C23H31N3O2S/c1-15(27)26(19-4-6-20(28-3)7-5-19)21-14-29-22(25(21)2)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18,21H,8-14H2,1-3H3/b24-22-
InChIKeyJRIXNGSIKVVVKR-GYHWCHFESA-N
XLogP4.38
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 67350737) is N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)C2CS/C(=N\C34CC5CC(CC(C5)C3)C4)N2C)cc1.
What is the InChIKey of N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JRIXNGSIKVVVKR-GYHWCHFESA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-15(27)26(19-4-6-20(28-3)7-5-19)21-14-29-22(25(21)2)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18,21H,8-14H2,1-3H3/b24-22-.
What are the key properties of N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 413.59 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 67350737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).