N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide

C16H20N2O2S — CID 78915800

IUPACN-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C16H20N2O2S/c1-8(19)13-7-21-16(17-13)18-15(20)14-11-3-9-2-10(5-11)6-12(14)4-9/h7,9-12,14H,2-6H2,1H3,(H,17,18,20)
InChIKeyBDOAQOBAERZGBP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.36
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide (PubChem CID 78915800) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide
PubChem CID78915800
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C16H20N2O2S/c1-8(19)13-7-21-16(17-13)18-15(20)14-11-3-9-2-10(5-11)6-12(14)4-9/h7,9-12,14H,2-6H2,1H3,(H,17,18,20)
InChIKeyBDOAQOBAERZGBP-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-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-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide (CID 78915800) is N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide is CC(=O)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide?
The InChIKey is BDOAQOBAERZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-8(19)13-7-21-16(17-13)18-15(20)14-11-3-9-2-10(5-11)6-12(14)4-9/h7,9-12,14H,2-6H2,1H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)adamantane-2-carboxamide is sourced from PubChem (CID 78915800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).