ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate

C10H9ClN4O2S — CID 58075094

IUPACethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C10H9ClN4O2S/c1-2-17-9(16)8-7(15-10(12)18-8)5-3-14-6(11)4-13-5/h3-4H,2H2,1H3,(H2,12,15)
InChIKeyFALOEPLBBYIOJX-UHFFFAOYSA-N
MW284.73 g/mol
LogP2.01
Rot. Bonds3

About ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 58075094) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID58075094
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Nameethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C10H9ClN4O2S/c1-2-17-9(16)8-7(15-10(12)18-8)5-3-14-6(11)4-13-5/h3-4H,2H2,1H3,(H2,12,15)
InChIKeyFALOEPLBBYIOJX-UHFFFAOYSA-N
XLogP2.01
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate (CID 58075094) is ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1cnc(Cl)cn1.
What is the InChIKey of ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is FALOEPLBBYIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c1-2-17-9(16)8-7(15-10(12)18-8)5-3-14-6(11)4-13-5/h3-4H,2H2,1H3,(H2,12,15).
What are the key properties of ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 284.73 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58075094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).