[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C19H25N3O4S — CID 3567837

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H25N3O4S/c1-11-20-15(10-27-11)5-17(24)26-9-16(23)21-18(25)22-19-6-12-2-13(7-19)4-14(3-12)8-19/h10,12-14H,2-9H2,1H3,(H2,21,22,23,25)
InChIKeyHFMIOKWJXJBYKW-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.33
Rot. Bonds5

About [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 3567837) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID3567837
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H25N3O4S/c1-11-20-15(10-27-11)5-17(24)26-9-16(23)21-18(25)22-19-6-12-2-13(7-19)4-14(3-12)8-19/h10,12-14H,2-9H2,1H3,(H2,21,22,23,25)
InChIKeyHFMIOKWJXJBYKW-UHFFFAOYSA-N
XLogP2.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 18286949
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 29433637
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327942
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
[2-(1-adamantylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 2999906
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418709
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131932570
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 3467304
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7228984
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821444

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 3567837) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1nc(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is HFMIOKWJXJBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-11-20-15(10-27-11)5-17(24)26-9-16(23)21-18(25)22-19-6-12-2-13(7-19)4-14(3-12)8-19/h10,12-14H,2-9H2,1H3,(H2,21,22,23,25).
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 391.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 3567837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).