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

C12H11ClN2O3S — CID 59864641

IUPACethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cc(OC)ccn1
InChIInChI=1S/C12H11ClN2O3S/c1-3-18-11(16)10-9(15-12(13)19-10)8-6-7(17-2)4-5-14-8/h4-6H,3H2,1-2H3
InChIKeyWARMXZAGDRYKRP-UHFFFAOYSA-N
MW298.75 g/mol
LogP3.04
Rot. Bonds4

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

ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 59864641) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID59864641
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Nameethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cc(OC)ccn1
InChIInChI=1S/C12H11ClN2O3S/c1-3-18-11(16)10-9(15-12(13)19-10)8-6-7(17-2)4-5-14-8/h4-6H,3H2,1-2H3
InChIKeyWARMXZAGDRYKRP-UHFFFAOYSA-N
XLogP3.04
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.04
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-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate (CID 59864641) is ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1cc(OC)ccn1.
What is the InChIKey of ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is WARMXZAGDRYKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-3-18-11(16)10-9(15-12(13)19-10)8-6-7(17-2)4-5-14-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate has a molecular weight of 298.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).