ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate

C11H10ClN3O2S — CID 68629478

IUPACethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cnc(C)cn1
InChIInChI=1S/C11H10ClN3O2S/c1-3-17-10(16)9-8(15-11(12)18-9)7-5-13-6(2)4-14-7/h4-5H,3H2,1-2H3
InChIKeyCZQSMKONQAYHLN-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.74
Rot. Bonds3

About ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 68629478) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID68629478
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Nameethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cnc(C)cn1
InChIInChI=1S/C11H10ClN3O2S/c1-3-17-10(16)9-8(15-11(12)18-9)7-5-13-6(2)4-14-7/h4-5H,3H2,1-2H3
InChIKeyCZQSMKONQAYHLN-UHFFFAOYSA-N
XLogP2.74
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate (CID 68629478) is ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1cnc(C)cn1.
What is the InChIKey of ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is CZQSMKONQAYHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-3-17-10(16)9-8(15-11(12)18-9)7-5-13-6(2)4-14-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68629478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).