2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine

C21H26N2S — CID 162648422

IUPAC2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1
InChIInChI=1S/C21H26N2S/c22-6-5-19-13-24-20(23-19)17-1-3-18(4-2-17)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,5-12,22H2
InChIKeyBPLFUCSAIMMEEV-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.78
Rot. Bonds4

About 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 162648422) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID162648422
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1
InChIInChI=1S/C21H26N2S/c22-6-5-19-13-24-20(23-19)17-1-3-18(4-2-17)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,5-12,22H2
InChIKeyBPLFUCSAIMMEEV-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine (CID 162648422) is 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1.
What is the InChIKey of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is BPLFUCSAIMMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c22-6-5-19-13-24-20(23-19)17-1-3-18(4-2-17)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,13-16H,5-12,22H2.
What are the key properties of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 338.52 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 162648422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).