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

C22H35N3S — CID 142703234

IUPACN-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
SMILESCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C22H35N3S/c1-25-20(15-26-21(25)24-19-5-3-2-4-6-19)7-8-23-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19,23H,2-14H2,1H3/b24-21-
InChIKeyYVNOOYNWBSQLFZ-FLFQWRMESA-N
MW373.61 g/mol
LogP4.42
Rot. Bonds5

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

N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine (PubChem CID 142703234) has the molecular formula C22H35N3S and a molecular weight of 373.61 g/mol. Its IUPAC name is N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
PubChem CID142703234
Molecular FormulaC22H35N3S
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC NameN-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
SMILESCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C22H35N3S/c1-25-20(15-26-21(25)24-19-5-3-2-4-6-19)7-8-23-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19,23H,2-14H2,1H3/b24-21-
InChIKeyYVNOOYNWBSQLFZ-FLFQWRMESA-N
XLogP4.42
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.42
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

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-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The IUPAC name of N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine (CID 142703234) is N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine.
What is the SMILES notation for N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The canonical SMILES for N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine is Cn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1.
What is the InChIKey of N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The InChIKey is YVNOOYNWBSQLFZ-FLFQWRMESA-N. The full InChI is InChI=1S/C22H35N3S/c1-25-20(15-26-21(25)24-19-5-3-2-4-6-19)7-8-23-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19,23H,2-14H2,1H3/b24-21-.
What are the key properties of N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
N-[2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine has a molecular weight of 373.61 g/mol, XLogP of 4.42, 5 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-methyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine is sourced from PubChem (CID 142703234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).