N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

C17H26N2OS — CID 62544679

IUPACN-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H26N2OS/c1-20-3-2-18-10-16-19-15(11-21-16)17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,2-10H2,1H3
InChIKeyRSGOEQRDYXFXJU-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.35
Rot. Bonds6

About N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine

N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62544679) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID62544679
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H26N2OS/c1-20-3-2-18-10-16-19-15(11-21-16)17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,2-10H2,1H3
InChIKeyRSGOEQRDYXFXJU-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine (CID 62544679) is N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is RSGOEQRDYXFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-20-3-2-18-10-16-19-15(11-21-16)17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,18H,2-10H2,1H3.
What are the key properties of N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 306.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-adamantyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62544679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).