2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid

C10H14N2O2S — CID 166291479

IUPAC2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1sncc1C
InChIInChI=1S/C10H14N2O2S/c1-3-4-12(7-10(13)14)6-9-8(2)5-11-15-9/h3,5H,1,4,6-7H2,2H3,(H,13,14)
InChIKeyFEUAWIFNKSTUCS-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid

2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid (PubChem CID 166291479) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid
PubChem CID166291479
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1sncc1C
InChIInChI=1S/C10H14N2O2S/c1-3-4-12(7-10(13)14)6-9-8(2)5-11-15-9/h3,5H,1,4,6-7H2,2H3,(H,13,14)
InChIKeyFEUAWIFNKSTUCS-UHFFFAOYSA-N
XLogP1.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[(2,5-dimethylphenyl)methyl-prop-2-enylamino]acetic acid
CID 79277476
2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276363
2-[(2-methylpyrimidin-4-yl)methyl-prop-2-enylamino]acetic acid
CID 115529713
2-[(3-bromothiophen-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79276316
2-[(3-methylimidazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276878
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79275814
2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
CID 79276600
2-[(5-chloro-1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79276224
2-[(1-ethylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276968
2-[(3-ethylimidazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79277136
2-[(1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79277151

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid (CID 166291479) is 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)Cc1sncc1C.
What is the InChIKey of 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid?
The InChIKey is FEUAWIFNKSTUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-4-12(7-10(13)14)6-9-8(2)5-11-15-9/h3,5H,1,4,6-7H2,2H3,(H,13,14).
What are the key properties of 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid?
2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid has a molecular weight of 226.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 166291479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).