2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide

C20H24N4O2S2 — CID 3581376

IUPAC2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(CC(=O)Nc1nccs1)(C3)C2)Nc1nccs1
InChIInChI=1S/C20H24N4O2S2/c25-15(23-17-21-1-3-27-17)10-19-6-13-5-14(7-19)9-20(8-13,12-19)11-16(26)24-18-22-2-4-28-18/h1-4,13-14H,5-12H2,(H,21,23,25)(H,22,24,26)
InChIKeyWPUVKRXWDZBPOU-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.54
Rot. Bonds6

About 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3581376) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3581376
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC Name2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(CC(=O)Nc1nccs1)(C3)C2)Nc1nccs1
InChIInChI=1S/C20H24N4O2S2/c25-15(23-17-21-1-3-27-17)10-19-6-13-5-14(7-19)9-20(8-13,12-19)11-16(26)24-18-22-2-4-28-18/h1-4,13-14H,5-12H2,(H,21,23,25)(H,22,24,26)
InChIKeyWPUVKRXWDZBPOU-UHFFFAOYSA-N
XLogP4.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5R,7R)-3-bromo-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 98125965
2-(1-adamantyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25035445
2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
CID 23934530
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-chloroadamantane-1-carboxylate
CID 5202139
N'-[1-(1-adamantyl)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 51117811
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 4568827
(5S,7R)-3-acetamido-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 95044326
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide
CID 87546188
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-[3-(1-adamantylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 4085890

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3581376) is 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CC12CC3CC(C1)CC(CC(=O)Nc1nccs1)(C3)C2)Nc1nccs1.
What is the InChIKey of 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WPUVKRXWDZBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c25-15(23-17-21-1-3-27-17)10-19-6-13-5-14(7-19)9-20(8-13,12-19)11-16(26)24-18-22-2-4-28-18/h1-4,13-14H,5-12H2,(H,21,23,25)(H,22,24,26).
What are the key properties of 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3581376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).