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

C24H39N3S — CID 142703208

IUPACN-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
SMILESCCCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C24H39N3S/c1-2-10-27-22(17-28-23(27)26-21-6-4-3-5-7-21)8-9-25-24-14-18-11-19(15-24)13-20(12-18)16-24/h17-21,25H,2-16H2,1H3/b26-23-
InChIKeyZEDBBTWSMXIAMT-RWEWTDSWSA-N
MW401.66 g/mol
LogP5.29
Rot. Bonds7

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

N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine (PubChem CID 142703208) has the molecular formula C24H39N3S and a molecular weight of 401.66 g/mol. Its IUPAC name is N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
PubChem CID142703208
Molecular FormulaC24H39N3S
Molecular Weight401.66 g/mol
Exact Mass401.29
IUPAC NameN-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine
SMILESCCCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1
InChIInChI=1S/C24H39N3S/c1-2-10-27-22(17-28-23(27)26-21-6-4-3-5-7-21)8-9-25-24-14-18-11-19(15-24)13-20(12-18)16-24/h17-21,25H,2-16H2,1H3/b26-23-
InChIKeyZEDBBTWSMXIAMT-RWEWTDSWSA-N
XLogP5.29
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.66
LogP ≤ 55.29
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-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The IUPAC name of N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine (CID 142703208) is N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine.
What is the SMILES notation for N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The canonical SMILES for N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine is CCCn1c(CCNC23CC4CC(CC(C4)C2)C3)cs/c1=N\C1CCCCC1.
What is the InChIKey of N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
The InChIKey is ZEDBBTWSMXIAMT-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H39N3S/c1-2-10-27-22(17-28-23(27)26-21-6-4-3-5-7-21)8-9-25-24-14-18-11-19(15-24)13-20(12-18)16-24/h17-21,25H,2-16H2,1H3/b26-23-.
What are the key properties of N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine?
N-[2-(2-cyclohexylimino-3-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine has a molecular weight of 401.66 g/mol, XLogP of 5.29, 7 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-propyl-1,3-thiazol-4-yl)ethyl]adamantan-1-amine is sourced from PubChem (CID 142703208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).