ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate

C8H12N2O2S — CID 66518201

IUPACethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-8(11)6(9)5-7-10-3-4-13-7/h3-4,6H,2,5,9H2,1H3
InChIKeyRZQBNUFPRVVUDR-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.58
Rot. Bonds4

About ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate

ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate (PubChem CID 66518201) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate
PubChem CID66518201
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-8(11)6(9)5-7-10-3-4-13-7/h3-4,6H,2,5,9H2,1H3
InChIKeyRZQBNUFPRVVUDR-UHFFFAOYSA-N
XLogP0.58
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate (CID 66518201) is ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(N)Cc1nccs1.
What is the InChIKey of ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate?
The InChIKey is RZQBNUFPRVVUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-8(11)6(9)5-7-10-3-4-13-7/h3-4,6H,2,5,9H2,1H3.
What are the key properties of ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate?
ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate has a molecular weight of 200.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 66518201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).