ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate

C11H8Cl2N2O2S — CID 169498589

IUPACethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cc(Cl)cc(Cl)n2)n1
InChIInChI=1S/C11H8Cl2N2O2S/c1-2-17-11(16)8-5-18-10(15-8)7-3-6(12)4-9(13)14-7/h3-5H,2H2,1H3
InChIKeyCFOBDSGFGHMHNQ-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.69
Rot. Bonds3

About ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate

ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate (PubChem CID 169498589) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
PubChem CID169498589
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Nameethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cc(Cl)cc(Cl)n2)n1
InChIInChI=1S/C11H8Cl2N2O2S/c1-2-17-11(16)8-5-18-10(15-8)7-3-6(12)4-9(13)14-7/h3-5H,2H2,1H3
InChIKeyCFOBDSGFGHMHNQ-UHFFFAOYSA-N
XLogP3.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106819010
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-[2-(1-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
CID 10086056
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-(2-amino-4-chlorobenzoyl)-1,3-thiazole-4-carboxylate
CID 168886969
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate (CID 169498589) is ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2cc(Cl)cc(Cl)n2)n1.
What is the InChIKey of ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is CFOBDSGFGHMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-2-17-11(16)8-5-18-10(15-8)7-3-6(12)4-9(13)14-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 303.17 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 169498589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).