methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate

C10H14N2O3S — CID 47290724

IUPACmethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCc1csc(C)n1
InChIInChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)5-11-9(13)3-4-10(14)15-2/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyBLAXOWZOSGVEDL-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.02
Rot. Bonds5

About methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate

methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate (PubChem CID 47290724) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
PubChem CID47290724
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCc1csc(C)n1
InChIInChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)5-11-9(13)3-4-10(14)15-2/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyBLAXOWZOSGVEDL-UHFFFAOYSA-N
XLogP1.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61281880
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate (CID 47290724) is methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCc1csc(C)n1.
What is the InChIKey of methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate?
The InChIKey is BLAXOWZOSGVEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)5-11-9(13)3-4-10(14)15-2/h6H,3-5H2,1-2H3,(H,11,13).
What are the key properties of methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate?
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate has a molecular weight of 242.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate is sourced from PubChem (CID 47290724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).