(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

C20H25N3OS — CID 24559342

IUPAC(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NC34CC5CC(CC(C5)C3)C4)c(C)nc2s1
InChIInChI=1S/C20H25N3OS/c1-12-11-23-17(13(2)21-19(23)25-12)3-4-18(24)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,11,14-16H,5-10H2,1-2H3,(H,22,24)/b4-3+
InChIKeyVLYCFIBFJNGPFD-ONEGZZNKSA-N
MW355.51 g/mol
LogP4.11
Rot. Bonds3

About (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (PubChem CID 24559342) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
PubChem CID24559342
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NC34CC5CC(CC(C5)C3)C4)c(C)nc2s1
InChIInChI=1S/C20H25N3OS/c1-12-11-23-17(13(2)21-19(23)25-12)3-4-18(24)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,11,14-16H,5-10H2,1-2H3,(H,22,24)/b4-3+
InChIKeyVLYCFIBFJNGPFD-ONEGZZNKSA-N
XLogP4.11
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide 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 (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide (CID 24559342) is (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is Cc1cn2c(/C=C/C(=O)NC34CC5CC(CC(C5)C3)C4)c(C)nc2s1.
What is the InChIKey of (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
The InChIKey is VLYCFIBFJNGPFD-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-12-11-23-17(13(2)21-19(23)25-12)3-4-18(24)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,11,14-16H,5-10H2,1-2H3,(H,22,24)/b4-3+.
What are the key properties of (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide?
(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide has a molecular weight of 355.51 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 24559342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).