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

C14H13NO3S — CID 2745356

IUPACethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)sc1C(C)=O
InChIInChI=1S/C14H13NO3S/c1-3-18-14(17)11-12(9(2)16)19-13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyDZEVIDSHPCONQD-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.19
Rot. Bonds4

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

ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 2745356) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID2745356
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Nameethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)sc1C(C)=O
InChIInChI=1S/C14H13NO3S/c1-3-18-14(17)11-12(9(2)16)19-13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyDZEVIDSHPCONQD-UHFFFAOYSA-N
XLogP3.19
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate (CID 2745356) is ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is DZEVIDSHPCONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-3-18-14(17)11-12(9(2)16)19-13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2745356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).