2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide

C23H33N5O2S — CID 4085890

IUPAC2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C2CCC1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2)Nc1nccs1
InChIInChI=1S/C23H33N5O2S/c29-20(26-22-24-3-4-31-22)13-28-18-1-2-19(28)9-17(8-18)25-21(30)27-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,14-19H,1-2,5-13H2,(H,24,26,29)(H2,25,27,30)
InChIKeyVAUXYHKKRFWGII-UHFFFAOYSA-N
MW443.62 g/mol
LogP3.35
Rot. Bonds5

About 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4085890) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4085890
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC Name2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C2CCC1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2)Nc1nccs1
InChIInChI=1S/C23H33N5O2S/c29-20(26-22-24-3-4-31-22)13-28-18-1-2-19(28)9-17(8-18)25-21(30)27-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,14-19H,1-2,5-13H2,(H,24,26,29)(H2,25,27,30)
InChIKeyVAUXYHKKRFWGII-UHFFFAOYSA-N
XLogP3.35
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R,5R)-9-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98111259
2-[(1R,5R)-3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 98111281
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
(2S,3aS,7aS)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124678314
(5S,7R)-3-acetamido-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 95044326
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 98125965
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 42654385

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 4085890) is 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C2CCC1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2)Nc1nccs1.
What is the InChIKey of 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VAUXYHKKRFWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2S/c29-20(26-22-24-3-4-31-22)13-28-18-1-2-19(28)9-17(8-18)25-21(30)27-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,14-19H,1-2,5-13H2,(H,24,26,29)(H2,25,27,30).
What are the key properties of 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 443.62 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4085890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).