2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C20H30N4O3S — CID 4985045

IUPAC2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCN(CC(=O)Nc1nc(C)cs1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N4O3S/c1-13-12-28-18(21-13)22-17(25)11-24(3-4-27-2)19(26)23-20-8-14-5-15(9-20)7-16(6-14)10-20/h12,14-16H,3-11H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyWFOUVHAFINVVQX-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.02
Rot. Bonds7

About 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4985045) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4985045
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCN(CC(=O)Nc1nc(C)cs1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N4O3S/c1-13-12-28-18(21-13)22-17(25)11-24(3-4-27-2)19(26)23-20-8-14-5-15(9-20)7-16(6-14)10-20/h12,14-16H,3-11H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyWFOUVHAFINVVQX-UHFFFAOYSA-N
XLogP3.02
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4985045) is 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COCCN(CC(=O)Nc1nc(C)cs1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WFOUVHAFINVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-13-12-28-18(21-13)22-17(25)11-24(3-4-27-2)19(26)23-20-8-14-5-15(9-20)7-16(6-14)10-20/h12,14-16H,3-11H2,1-2H3,(H,23,26)(H,21,22,25).
What are the key properties of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4985045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).