N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide

C24H37N3OS — CID 53258388

IUPACN-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCn1c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCCC1
InChIInChI=1S/C24H37N3OS/c1-2-27-21(16-29-23(27)25-20-7-5-3-4-6-8-20)12-22(28)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h16-20H,2-15H2,1H3,(H,26,28)/b25-23-
InChIKeyUGABNMUBDAPIJR-BZZOAKBMSA-N
MW415.65 g/mol
LogP4.82
Rot. Bonds5

About N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide

N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 53258388) has the molecular formula C24H37N3OS and a molecular weight of 415.65 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide
PubChem CID53258388
Molecular FormulaC24H37N3OS
Molecular Weight415.65 g/mol
Exact Mass415.27
IUPAC NameN-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCn1c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCCC1
InChIInChI=1S/C24H37N3OS/c1-2-27-21(16-29-23(27)25-20-7-5-3-4-6-8-20)12-22(28)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h16-20H,2-15H2,1H3,(H,26,28)/b25-23-
InChIKeyUGABNMUBDAPIJR-BZZOAKBMSA-N
XLogP4.82
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide (CID 53258388) is N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide is CCn1c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCCC1.
What is the InChIKey of N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UGABNMUBDAPIJR-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H37N3OS/c1-2-27-21(16-29-23(27)25-20-7-5-3-4-6-8-20)12-22(28)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h16-20H,2-15H2,1H3,(H,26,28)/b25-23-.
What are the key properties of N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide?
N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 415.65 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 53258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).