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

C16H15N3OS — CID 118709683

IUPAC2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole
SMILESCCc1cc(-c2ncc(-c3ccnc(OC)c3)s2)ccn1
InChIInChI=1S/C16H15N3OS/c1-3-13-8-12(5-6-17-13)16-19-10-14(21-16)11-4-7-18-15(9-11)20-2/h4-10H,3H2,1-2H3
InChIKeyLAEXNLHYKCEWOR-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.84
Rot. Bonds4

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

2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole (PubChem CID 118709683) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole
PubChem CID118709683
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole
SMILESCCc1cc(-c2ncc(-c3ccnc(OC)c3)s2)ccn1
InChIInChI=1S/C16H15N3OS/c1-3-13-8-12(5-6-17-13)16-19-10-14(21-16)11-4-7-18-15(9-11)20-2/h4-10H,3H2,1-2H3
InChIKeyLAEXNLHYKCEWOR-UHFFFAOYSA-N
XLogP3.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole (CID 118709683) is 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole is CCc1cc(-c2ncc(-c3ccnc(OC)c3)s2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole?
The InChIKey is LAEXNLHYKCEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-13-8-12(5-6-17-13)16-19-10-14(21-16)11-4-7-18-15(9-11)20-2/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole?
2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole has a molecular weight of 297.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-pyridinyl)-5-(2-methoxy-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).