methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate

C8H12N2O3S — CID 106380191

IUPACmethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-5(7(11)13-2)9-3-6-4-14-8(12)10-6/h4-5,9H,3H2,1-2H3,(H,10,12)
InChIKeyZFVLSLLTRSVGFO-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.09
Rot. Bonds4

About methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate

methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (PubChem CID 106380191) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
PubChem CID106380191
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Namemethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-5(7(11)13-2)9-3-6-4-14-8(12)10-6/h4-5,9H,3H2,1-2H3,(H,10,12)
InChIKeyZFVLSLLTRSVGFO-UHFFFAOYSA-N
XLogP0.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate with MolForge

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Related Compounds

ethyl 2-acetamido-2-(2-oxo-3H-1,3-thiazol-4-yl)acetate
CID 15137541
N-(1-methoxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18161053
Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 27682349
Ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 47257384
Ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 47368140
Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 60693463
Methyl 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 65443408
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106379679
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380176
methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380540
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380541
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (CID 106380191) is methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is COC(=O)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The InChIKey is ZFVLSLLTRSVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5(7(11)13-2)9-3-6-4-14-8(12)10-6/h4-5,9H,3H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate has a molecular weight of 216.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 106380191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).