propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate

C15H21N3O5S — CID 167015291

IUPACpropan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate
SMILES[H]/N=C/C(=O)CC[C@H](NC(=O)[C@@H](OC)c1cncs1)C(=O)OC(C)C
InChIInChI=1S/C15H21N3O5S/c1-9(2)23-15(21)11(5-4-10(19)6-16)18-14(20)13(22-3)12-7-17-8-24-12/h6-9,11,13,16H,4-5H2,1-3H3,(H,18,20)/b16-6+/t11-,13-/m0/s1
InChIKeyYGHWUFXIHCINHO-QKSTXFTRSA-N
MW355.42 g/mol
LogP1.27
Rot. Bonds10

About propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate

propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate (PubChem CID 167015291) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate
PubChem CID167015291
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Namepropan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate
SMILES[H]/N=C/C(=O)CC[C@H](NC(=O)[C@@H](OC)c1cncs1)C(=O)OC(C)C
InChIInChI=1S/C15H21N3O5S/c1-9(2)23-15(21)11(5-4-10(19)6-16)18-14(20)13(22-3)12-7-17-8-24-12/h6-9,11,13,16H,4-5H2,1-3H3,(H,18,20)/b16-6+/t11-,13-/m0/s1
InChIKeyYGHWUFXIHCINHO-QKSTXFTRSA-N
XLogP1.27
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate 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

propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxy-2-(1H-pyrrol-2-yl)acetyl]amino]-5-oxohexanoate
CID 170445453
propan-2-yl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-6-imino-5-oxohexanoate
CID 167015808
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxypentanoyl]amino]-5-oxohexanoate
CID 167014874
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxy-4-methylpentanoyl]amino]-5-oxohexanoate
CID 167014856
propan-2-yl (2S)-6-imino-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-5-oxohexanoate
CID 167014909
propan-2-yl (2S)-2-[[(2R)-2-(3-fluoro-4-pyridinyl)-2-hydroxyacetyl]amino]-6-imino-5-oxohexanoate
CID 167015803
propan-2-yl (2S)-2-[[(2R)-2-(4,5-dihydro-1,3-oxazol-5-yl)-2-hydroxyacetyl]amino]-6-imino-5-oxohexanoate
CID 170445719
propan-2-yl (2S)-2-[[(2S)-2-hydroxy-2-(1-methylimidazol-2-yl)acetyl]amino]-6-imino-5-oxohexanoate
CID 167015377
propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate
CID 167014877
propan-2-yl (2S)-2-[[(2S)-2-(2,2-dimethylpropanoyloxy)propanoyl]amino]-6-imino-5-oxohexanoate
CID 167015094
propan-2-yl (2S)-2-(3-hydroxypropanoylamino)-6-imino-5-oxohexanoate
CID 167015814
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methylsulfinyl-2-phenylacetyl]amino]-5-oxohexanoate
CID 167015403

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate?
The IUPAC name of propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate (CID 167015291) is propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate.
What is the SMILES notation for propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate?
The canonical SMILES for propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate is [H]/N=C/C(=O)CC[C@H](NC(=O)[C@@H](OC)c1cncs1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate?
The InChIKey is YGHWUFXIHCINHO-QKSTXFTRSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-9(2)23-15(21)11(5-4-10(19)6-16)18-14(20)13(22-3)12-7-17-8-24-12/h6-9,11,13,16H,4-5H2,1-3H3,(H,18,20)/b16-6+/t11-,13-/m0/s1.
What are the key properties of propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate?
propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate has a molecular weight of 355.42 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-6-imino-2-[[(2R)-2-methoxy-2-(1,3-thiazol-5-yl)acetyl]amino]-5-oxohexanoate is sourced from PubChem (CID 167015291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).