ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate

C10H12N2O3S — CID 54341693

IUPACethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc(NC(C)=O)s1
InChIInChI=1S/C10H12N2O3S/c1-3-15-9(14)5-4-8-6-11-10(16-8)12-7(2)13/h4-6H,3H2,1-2H3,(H,11,12,13)
InChIKeyTZKIKLODPXLHRG-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.68
Rot. Bonds4

About ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate

ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate (PubChem CID 54341693) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate
PubChem CID54341693
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc(NC(C)=O)s1
InChIInChI=1S/C10H12N2O3S/c1-3-15-9(14)5-4-8-6-11-10(16-8)12-7(2)13/h4-6H,3H2,1-2H3,(H,11,12,13)
InChIKeyTZKIKLODPXLHRG-UHFFFAOYSA-N
XLogP1.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate (CID 54341693) is ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate is CCOC(=O)C=Cc1cnc(NC(C)=O)s1.
What is the InChIKey of ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate?
The InChIKey is TZKIKLODPXLHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-15-9(14)5-4-8-6-11-10(16-8)12-7(2)13/h4-6H,3H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate?
ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate has a molecular weight of 240.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-acetamido-1,3-thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 54341693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).