2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide

C24H37N3OS — CID 53258265

IUPAC2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
SMILESCCn1c(CC(=O)NC2CCCCCC2)cs/c1=N\C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37N3OS/c1-2-27-21(12-22(28)25-20-7-5-3-4-6-8-20)16-29-23(27)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h16-20H,2-15H2,1H3,(H,25,28)/b26-23-
InChIKeyQYRYBHJOPVVZCN-RWEWTDSWSA-N
MW415.65 g/mol
LogP4.82
Rot. Bonds5

About 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide

2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide (PubChem CID 53258265) has the molecular formula C24H37N3OS and a molecular weight of 415.65 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
PubChem CID53258265
Molecular FormulaC24H37N3OS
Molecular Weight415.65 g/mol
Exact Mass415.27
IUPAC Name2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
SMILESCCn1c(CC(=O)NC2CCCCCC2)cs/c1=N\C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37N3OS/c1-2-27-21(12-22(28)25-20-7-5-3-4-6-8-20)16-29-23(27)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h16-20H,2-15H2,1H3,(H,25,28)/b26-23-
InChIKeyQYRYBHJOPVVZCN-RWEWTDSWSA-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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Related Compounds

N-[2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]ethyl]cycloheptanamine
CID 46862308
N-[2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
CID 46862415
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
CID 46862829
N-(1-adamantyl)-2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]acetamide
CID 46862831
2-[2-(1-adamantylimino)-3-propyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
CID 53258267
2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
CID 53258269
N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide
CID 53258271
N-(1-adamantyl)-2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)acetamide
CID 53258382
N-(1-adamantyl)-2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)acetamide
CID 53258384
N-(1-adamantyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide
CID 53258386
N-(1-adamantyl)-2-(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)acetamide
CID 53258388
N-(1-adamantyl)-2-(2-cycloheptylimino-3-propyl-1,3-thiazol-4-yl)acetamide
CID 53258390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide (CID 53258265) is 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide is CCn1c(CC(=O)NC2CCCCCC2)cs/c1=N\C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide?
The InChIKey is QYRYBHJOPVVZCN-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H37N3OS/c1-2-27-21(12-22(28)25-20-7-5-3-4-6-8-20)16-29-23(27)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h16-20H,2-15H2,1H3,(H,25,28)/b26-23-.
What are the key properties of 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide?
2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide 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 2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 53258265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).