2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid

C10H14N2O2S — CID 79276363

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1csc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-3-4-12(6-10(13)14)5-9-7-15-8(2)11-9/h3,7H,1,4-6H2,2H3,(H,13,14)
InChIKeyKJKYICGVYRKNSC-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid

2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid (PubChem CID 79276363) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
PubChem CID79276363
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1csc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-3-4-12(6-10(13)14)5-9-7-15-8(2)11-9/h3,7H,1,4-6H2,2H3,(H,13,14)
InChIKeyKJKYICGVYRKNSC-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-[prop-2-enyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 79275716
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264506
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-[(4-methyl-1,2-thiazol-5-yl)methyl-prop-2-enylamino]acetic acid
CID 166291479
2-[prop-2-enyl(quinolin-2-ylmethyl)amino]acetic acid
CID 79277558
methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 62013509
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
2-[(2,5-dimethylphenyl)methyl-prop-2-enylamino]acetic acid
CID 79277476
2-[(1-butan-2-ylpyrazol-3-yl)methyl-prop-2-enylamino]acetic acid
CID 79276299
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79275814
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid (CID 79276363) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)Cc1csc(C)n1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid?
The InChIKey is KJKYICGVYRKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-4-12(6-10(13)14)5-9-7-15-8(2)11-9/h3,7H,1,4-6H2,2H3,(H,13,14).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid?
2-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).