N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

C27H26N2O2S — CID 4675866

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(c1ccccc1)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1
InChIInChI=1S/C27H26N2O2S/c30-23(21-9-5-2-6-10-21)24-22(20-7-3-1-4-8-20)28-26(32-24)29-25(31)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2,(H,28,29,31)
InChIKeyJDKWQEOMIREADG-UHFFFAOYSA-N
MW442.58 g/mol
LogP6.20
Rot. Bonds5

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 4675866) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID4675866
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(c1ccccc1)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1
InChIInChI=1S/C27H26N2O2S/c30-23(21-9-5-2-6-10-21)24-22(20-7-3-1-4-8-20)28-26(32-24)29-25(31)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2,(H,28,29,31)
InChIKeyJDKWQEOMIREADG-UHFFFAOYSA-N
XLogP6.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide 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 N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 4675866) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is O=C(c1ccccc1)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is JDKWQEOMIREADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c30-23(21-9-5-2-6-10-21)24-22(20-7-3-1-4-8-20)28-26(32-24)29-25(31)27-14-17-11-18(15-27)13-19(12-17)16-27/h1-10,17-19H,11-16H2,(H,28,29,31).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4675866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).