N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine

C23H37N3S — CID 142703239

IUPACN-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
SMILESCCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C23H37N3S/c1-2-26-21(16-27-22(26)25-20-6-4-3-5-7-20)8-9-24-23-13-17-10-18(14-23)12-19(11-17)15-23/h16-20,24H,2-15H2,1H3/b25-22-
InChIKeyQJZGMHJRORDGAS-LVWGJNHUSA-N
MW387.64 g/mol
LogP4.90
Rot. Bonds6

About N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine

N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine (PubChem CID 142703239) has the molecular formula C23H37N3S and a molecular weight of 387.64 g/mol. Its IUPAC name is N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
PubChem CID142703239
Molecular FormulaC23H37N3S
Molecular Weight387.64 g/mol
Exact Mass387.27
IUPAC NameN-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
SMILESCCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C23H37N3S/c1-2-26-21(16-27-22(26)25-20-6-4-3-5-7-20)8-9-24-23-13-17-10-18(14-23)12-19(11-17)15-23/h16-20,24H,2-15H2,1H3/b25-22-
InChIKeyQJZGMHJRORDGAS-LVWGJNHUSA-N
XLogP4.90
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(1-adamantyl)-N-cyclohexylcarbamimidothioate
CID 176518243
1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea
CID 25178142
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
N-(1-adamantyl)-2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]acetamide
CID 46862831
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-(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
N-(1-adamantyl)-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide
CID 53258514
N-(1-adamantyl)-2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]acetamide
CID 53258758

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The IUPAC name of N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine (CID 142703239) is N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine.
What is the SMILES notation for N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The canonical SMILES for N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine is CCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1.
What is the InChIKey of N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The InChIKey is QJZGMHJRORDGAS-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H37N3S/c1-2-26-21(16-27-22(26)25-20-6-4-3-5-7-20)8-9-24-23-13-17-10-18(14-23)12-19(11-17)15-23/h16-20,24H,2-15H2,1H3/b25-22-.
What are the key properties of N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine has a molecular weight of 387.64 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexylimino-3-ethyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine is sourced from PubChem (CID 142703239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).