methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate

C10H14N2O2S — CID 64990575

IUPACmethyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESC=CCNC(C)(C(=O)OC)c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-4-5-12-10(2,9(13)14-3)8-11-6-7-15-8/h4,6-7,12H,1,5H2,2-3H3
InChIKeyFOPMREXZRHQNPD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate

methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 64990575) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
PubChem CID64990575
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESC=CCNC(C)(C(=O)OC)c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-4-5-12-10(2,9(13)14-3)8-11-6-7-15-8/h4,6-7,12H,1,5H2,2-3H3
InChIKeyFOPMREXZRHQNPD-UHFFFAOYSA-N
XLogP1.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate (CID 64990575) is methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate is C=CCNC(C)(C(=O)OC)c1nccs1.
What is the InChIKey of methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is FOPMREXZRHQNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-5-12-10(2,9(13)14-3)8-11-6-7-15-8/h4,6-7,12H,1,5H2,2-3H3.
What are the key properties of methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate?
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 226.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 64990575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).