ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate

C14H14N2O3S — CID 3941062

IUPACethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(C)=O)nc1-c1ccccc1
InChIInChI=1S/C14H14N2O3S/c1-3-19-13(18)12-11(10-7-5-4-6-8-10)16-14(20-12)15-9(2)17/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyHSBUGVRZWGSASZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.95
Rot. Bonds4

About ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 3941062) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID3941062
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Nameethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(C)=O)nc1-c1ccccc1
InChIInChI=1S/C14H14N2O3S/c1-3-19-13(18)12-11(10-7-5-4-6-8-10)16-14(20-12)15-9(2)17/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyHSBUGVRZWGSASZ-UHFFFAOYSA-N
XLogP2.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate (CID 3941062) is ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(C)=O)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is HSBUGVRZWGSASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-19-13(18)12-11(10-7-5-4-6-8-10)16-14(20-12)15-9(2)17/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3941062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).