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

C22H33N3OS — CID 53258271

IUPACN-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide
SMILESCn1c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C22H33N3OS/c1-25-19(14-27-21(25)23-18-5-3-2-4-6-18)10-20(26)24-22-11-15-7-16(12-22)9-17(8-15)13-22/h14-18H,2-13H2,1H3,(H,24,26)/b23-21-
InChIKeyBJPOQEDZAUPTPL-LNVKXUELSA-N
MW387.59 g/mol
LogP3.95
Rot. Bonds4

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

N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 53258271) has the molecular formula C22H33N3OS and a molecular weight of 387.59 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID53258271
Molecular FormulaC22H33N3OS
Molecular Weight387.59 g/mol
Exact Mass387.23
IUPAC NameN-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide
SMILESCn1c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C22H33N3OS/c1-25-19(14-27-21(25)23-18-5-3-2-4-6-18)10-20(26)24-22-11-15-7-16(12-22)9-17(8-15)13-22/h14-18H,2-13H2,1H3,(H,24,26)/b23-21-
InChIKeyBJPOQEDZAUPTPL-LNVKXUELSA-N
XLogP3.95
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 53.95
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-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
N-(1-adamantyl)-2-[2-(1-adamantylimino)-3-propyl-1,3-thiazol-4-yl]acetamide
CID 53258512

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide (CID 53258271) is N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide is Cn1c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1.
What is the InChIKey of N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BJPOQEDZAUPTPL-LNVKXUELSA-N. The full InChI is InChI=1S/C22H33N3OS/c1-25-19(14-27-21(25)23-18-5-3-2-4-6-18)10-20(26)24-22-11-15-7-16(12-22)9-17(8-15)13-22/h14-18H,2-13H2,1H3,(H,24,26)/b23-21-.
What are the key properties of N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
N-(1-adamantyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 387.59 g/mol, XLogP of 3.95, 4 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-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 53258271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).