ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate

C11H10N2O3S2 — CID 170323445

IUPACethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cscn2)nc1C(C)=O
InChIInChI=1S/C11H10N2O3S2/c1-3-16-11(15)9-8(6(2)14)13-10(18-9)7-4-17-5-12-7/h4-5H,3H2,1-2H3
InChIKeyCOWPQWSTVPPJPK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.65
Rot. Bonds4

About ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate

ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 170323445) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID170323445
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Nameethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cscn2)nc1C(C)=O
InChIInChI=1S/C11H10N2O3S2/c1-3-16-11(15)9-8(6(2)14)13-10(18-9)7-4-17-5-12-7/h4-5H,3H2,1-2H3
InChIKeyCOWPQWSTVPPJPK-UHFFFAOYSA-N
XLogP2.65
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate (CID 170323445) is ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cscn2)nc1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is COWPQWSTVPPJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-3-16-11(15)9-8(6(2)14)13-10(18-9)7-4-17-5-12-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate?
ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 170323445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).