[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C16H25N3S — CID 105214513

IUPAC[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H25N3S/c1-10-18-14(9-20-10)5-15(19-17)16-6-11-2-12(7-16)4-13(3-11)8-16/h9,11-13,15,19H,2-8,17H2,1H3
InChIKeyWCTOWNAOLBQRCP-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.04
Rot. Bonds4

About [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105214513) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105214513
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(CC(NN)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H25N3S/c1-10-18-14(9-20-10)5-15(19-17)16-6-11-2-12(7-16)4-13(3-11)8-16/h9,11-13,15,19H,2-8,17H2,1H3
InChIKeyWCTOWNAOLBQRCP-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242887
1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106039302
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
[1-(4,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105231799
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
[4-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-yl]hydrazine
CID 105214723
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105259979
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670008
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739
2-hydrazinyl-N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 105244854
1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997094

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105214513) is [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is Cc1nc(CC(NN)C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is WCTOWNAOLBQRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-10-18-14(9-20-10)5-15(19-17)16-6-11-2-12(7-16)4-13(3-11)8-16/h9,11-13,15,19H,2-8,17H2,1H3.
What are the key properties of [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 291.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105214513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).