methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate

C11H16N2O3S — CID 110465551

IUPACmethyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1nc(C)sc1C
InChIInChI=1S/C11H16N2O3S/c1-7-10(13-8(2)17-7)11(15)12-6-4-5-9(14)16-3/h4-6H2,1-3H3,(H,12,15)
InChIKeyYMJFLPQZZJOIJC-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.44
Rot. Bonds5

About methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate

methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate (PubChem CID 110465551) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate
PubChem CID110465551
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1nc(C)sc1C
InChIInChI=1S/C11H16N2O3S/c1-7-10(13-8(2)17-7)11(15)12-6-4-5-9(14)16-3/h4-6H2,1-3H3,(H,12,15)
InChIKeyYMJFLPQZZJOIJC-UHFFFAOYSA-N
XLogP1.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
methyl 4-benzamidobutanoate
CID 13197711
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
methyl 7-[(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)amino]heptanoate
CID 47061209
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate (CID 110465551) is methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate is COC(=O)CCCNC(=O)c1nc(C)sc1C.
What is the InChIKey of methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate?
The InChIKey is YMJFLPQZZJOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-10(13-8(2)17-7)11(15)12-6-4-5-9(14)16-3/h4-6H2,1-3H3,(H,12,15).
What are the key properties of methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate?
methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate has a molecular weight of 256.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate is sourced from PubChem (CID 110465551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).