N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide

C24H35N3OS — CID 53258514

IUPACN-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1cs/c(=N\C2CCCCC2)n1C1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3OS/c28-22(26-24-12-16-8-17(13-24)10-18(9-16)14-24)11-21-15-29-23(27(21)20-6-7-20)25-19-4-2-1-3-5-19/h15-20H,1-14H2,(H,26,28)/b25-23-
InChIKeyPZUKVLBLLHKATL-BZZOAKBMSA-N
MW413.63 g/mol
LogP4.75
Rot. Bonds5

About N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide

N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide (PubChem CID 53258514) has the molecular formula C24H35N3OS and a molecular weight of 413.63 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide
PubChem CID53258514
Molecular FormulaC24H35N3OS
Molecular Weight413.63 g/mol
Exact Mass413.25
IUPAC NameN-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1cs/c(=N\C2CCCCC2)n1C1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3OS/c28-22(26-24-12-16-8-17(13-24)10-18(9-16)14-24)11-21-15-29-23(27(21)20-6-7-20)25-19-4-2-1-3-5-19/h15-20H,1-14H2,(H,26,28)/b25-23-
InChIKeyPZUKVLBLLHKATL-BZZOAKBMSA-N
XLogP4.75
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 54.75
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

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-ethyl-1,3-thiazol-4-yl]-N-cycloheptylacetamide
CID 53258265
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
N-(1-adamantyl)-2-[2-(1-adamantylimino)-3-ethyl-1,3-thiazol-4-yl]acetamide
CID 53258392

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide (CID 53258514) is N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1cs/c(=N\C2CCCCC2)n1C1CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PZUKVLBLLHKATL-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H35N3OS/c28-22(26-24-12-16-8-17(13-24)10-18(9-16)14-24)11-21-15-29-23(27(21)20-6-7-20)25-19-4-2-1-3-5-19/h15-20H,1-14H2,(H,26,28)/b25-23-.
What are the key properties of N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide?
N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 413.63 g/mol, XLogP of 4.75, 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-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 53258514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).