(6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate

C12H12N2O3S — CID 71851110

IUPAC(6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate
SMILESCCOc1cccc(COC(=O)c2cscn2)n1
InChIInChI=1S/C12H12N2O3S/c1-2-16-11-5-3-4-9(14-11)6-17-12(15)10-7-18-8-13-10/h3-5,7-8H,2,6H2,1H3
InChIKeyJQVNIFNSWUNBGL-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.29
Rot. Bonds5

About (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate

(6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate (PubChem CID 71851110) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate
PubChem CID71851110
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate
SMILESCCOc1cccc(COC(=O)c2cscn2)n1
InChIInChI=1S/C12H12N2O3S/c1-2-16-11-5-3-4-9(14-11)6-17-12(15)10-7-18-8-13-10/h3-5,7-8H,2,6H2,1H3
InChIKeyJQVNIFNSWUNBGL-UHFFFAOYSA-N
XLogP2.29
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate?
The IUPAC name of (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate (CID 71851110) is (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate.
What is the SMILES notation for (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate?
The canonical SMILES for (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate is CCOc1cccc(COC(=O)c2cscn2)n1.
What is the InChIKey of (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate?
The InChIKey is JQVNIFNSWUNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-16-11-5-3-4-9(14-11)6-17-12(15)10-7-18-8-13-10/h3-5,7-8H,2,6H2,1H3.
What are the key properties of (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate?
(6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-2-pyridinyl)methyl 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71851110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).