2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole

C12H14N2OS — CID 102281629

IUPAC2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole
SMILESCCc1nc(C)c(-c2cccc(OC)n2)s1
InChIInChI=1S/C12H14N2OS/c1-4-11-13-8(2)12(16-11)9-6-5-7-10(14-9)15-3/h5-7H,4H2,1-3H3
InChIKeyGOXIQKZWSDFWHG-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.08
Rot. Bonds3

About 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole

2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole (PubChem CID 102281629) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole
PubChem CID102281629
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole
SMILESCCc1nc(C)c(-c2cccc(OC)n2)s1
InChIInChI=1S/C12H14N2OS/c1-4-11-13-8(2)12(16-11)9-6-5-7-10(14-9)15-3/h5-7H,4H2,1-3H3
InChIKeyGOXIQKZWSDFWHG-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole (CID 102281629) is 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole is CCc1nc(C)c(-c2cccc(OC)n2)s1.
What is the InChIKey of 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole?
The InChIKey is GOXIQKZWSDFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-4-11-13-8(2)12(16-11)9-6-5-7-10(14-9)15-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole?
2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole has a molecular weight of 234.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 102281629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).