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

C23H30N2S — CID 162651327

IUPAC2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1
InChIInChI=1S/C23H30N2S/c1-25(2)8-7-21-15-26-22(24-21)19-3-5-20(6-4-19)23-12-16-9-17(13-23)11-18(10-16)14-23/h3-6,15-18H,7-14H2,1-2H3
InChIKeyJQDZZAPGRFCSIM-UHFFFAOYSA-N
MW366.57 g/mol
LogP5.38
Rot. Bonds5

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

2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine (PubChem CID 162651327) has the molecular formula C23H30N2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine
PubChem CID162651327
Molecular FormulaC23H30N2S
Molecular Weight366.57 g/mol
Exact Mass366.21
IUPAC Name2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1
InChIInChI=1S/C23H30N2S/c1-25(2)8-7-21-15-26-22(24-21)19-3-5-20(6-4-19)23-12-16-9-17(13-23)11-18(10-16)14-23/h3-6,15-18H,7-14H2,1-2H3
InChIKeyJQDZZAPGRFCSIM-UHFFFAOYSA-N
XLogP5.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine 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]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine (CID 162651327) is 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine is CN(C)CCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1.
What is the InChIKey of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
The InChIKey is JQDZZAPGRFCSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2S/c1-25(2)8-7-21-15-26-22(24-21)19-3-5-20(6-4-19)23-12-16-9-17(13-23)11-18(10-16)14-23/h3-6,15-18H,7-14H2,1-2H3.
What are the key properties of 2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine?
2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N,N-dimethylethanamine has a molecular weight of 366.57 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 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]-N,N-dimethylethanamine is sourced from PubChem (CID 162651327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).