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

C10H16N2O3S — CID 106380695

IUPACethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-3-15-9(13)7(2)4-11-5-8-6-16-10(14)12-8/h6-7,11H,3-5H2,1-2H3,(H,12,14)
InChIKeyQQPBPILISVFMED-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.73
Rot. Bonds6

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

ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (PubChem CID 106380695) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
PubChem CID106380695
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-3-15-9(13)7(2)4-11-5-8-6-16-10(14)12-8/h6-7,11H,3-5H2,1-2H3,(H,12,14)
InChIKeyQQPBPILISVFMED-UHFFFAOYSA-N
XLogP0.73
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 47437640
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380654
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380668
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380780
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380801
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380860
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380904
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380931
2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380983
4-[(3-ethoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381068

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (CID 106380695) is ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is CCOC(=O)C(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The InChIKey is QQPBPILISVFMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-15-9(13)7(2)4-11-5-8-6-16-10(14)12-8/h6-7,11H,3-5H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate has a molecular weight of 244.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 106380695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).