[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C20H27N3O5S — CID 8814797

IUPAC[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O5S/c1-11-10-29-19(27)23(11)9-16(24)28-12(2)17(25)21-18(26)22-20-6-13-3-14(7-20)5-15(4-13)8-20/h10,12-15H,3-9H2,1-2H3,(H2,21,22,25,26)/t12-,13?,14?,15?,20?/m0/s1
InChIKeySIKHVULRZFBKHG-PGBBXINNSA-N
MW421.52 g/mol
LogP1.94
Rot. Bonds5

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

[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8814797) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8814797
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O5S/c1-11-10-29-19(27)23(11)9-16(24)28-12(2)17(25)21-18(26)22-20-6-13-3-14(7-20)5-15(4-13)8-20/h10,12-15H,3-9H2,1-2H3,(H2,21,22,25,26)/t12-,13?,14?,15?,20?/m0/s1
InChIKeySIKHVULRZFBKHG-PGBBXINNSA-N
XLogP1.94
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate 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

[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305662
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30258304
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783762
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8554124
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 9483969
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783746
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783747
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30261686
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783760
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813052
[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305686
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305861

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8814797) is [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is SIKHVULRZFBKHG-PGBBXINNSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-11-10-29-19(27)23(11)9-16(24)28-12(2)17(25)21-18(26)22-20-6-13-3-14(7-20)5-15(4-13)8-20/h10,12-15H,3-9H2,1-2H3,(H2,21,22,25,26)/t12-,13?,14?,15?,20?/m0/s1.
What are the key properties of [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 421.52 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8814797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).