ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate

C11H8ClFN2O2S — CID 58075077

IUPACethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1ncccc1F
InChIInChI=1S/C11H8ClFN2O2S/c1-2-17-10(16)9-8(15-11(12)18-9)7-6(13)4-3-5-14-7/h3-5H,2H2,1H3
InChIKeyKLSPOMGKIAOLAX-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.17
Rot. Bonds3

About ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 58075077) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.71 g/mol. Its IUPAC name is ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID58075077
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.71 g/mol
Exact Mass286.00
IUPAC Nameethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1ncccc1F
InChIInChI=1S/C11H8ClFN2O2S/c1-2-17-10(16)9-8(15-11(12)18-9)7-6(13)4-3-5-14-7/h3-5H,2H2,1H3
InChIKeyKLSPOMGKIAOLAX-UHFFFAOYSA-N
XLogP3.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate (CID 58075077) is ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1ncccc1F.
What is the InChIKey of ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is KLSPOMGKIAOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c1-2-17-10(16)9-8(15-11(12)18-9)7-6(13)4-3-5-14-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate has a molecular weight of 286.71 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(3-fluoro-2-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58075077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).