ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate

C14H16N2O2S — CID 21440022

IUPACethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-13(17)10(2)11-4-6-12(7-5-11)16-14-15-8-9-19-14/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyJOWSSGXJRKRTBL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate

ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate (PubChem CID 21440022) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
PubChem CID21440022
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-13(17)10(2)11-4-6-12(7-5-11)16-14-15-8-9-19-14/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyJOWSSGXJRKRTBL-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate?
The IUPAC name of ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate (CID 21440022) is ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate?
The canonical SMILES for ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate is CCOC(=O)C(C)c1ccc(Nc2nccs2)cc1.
What is the InChIKey of ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate?
The InChIKey is JOWSSGXJRKRTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-13(17)10(2)11-4-6-12(7-5-11)16-14-15-8-9-19-14/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate?
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate has a molecular weight of 276.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate is sourced from PubChem (CID 21440022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).