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

C15H22N2O4S — CID 8783769

IUPAC[(2S)-1-(cyclohexylamino)-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)NC1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-10-9-22-15(20)17(10)8-13(18)21-11(2)14(19)16-12-6-4-3-5-7-12/h9,11-12H,3-8H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyOSSUFGDLSDLOBJ-NSHDSACASA-N
MW326.42 g/mol
LogP1.60
Rot. Bonds5

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

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8783769) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8783769
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name[(2S)-1-(cyclohexylamino)-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)NC1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-10-9-22-15(20)17(10)8-13(18)21-11(2)14(19)16-12-6-4-3-5-7-12/h9,11-12H,3-8H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyOSSUFGDLSDLOBJ-NSHDSACASA-N
XLogP1.60
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8783769) is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [(2S)-1-(cyclohexylamino)-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)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is OSSUFGDLSDLOBJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-9-22-15(20)17(10)8-13(18)21-11(2)14(19)16-12-6-4-3-5-7-12/h9,11-12H,3-8H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 326.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8783769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).