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

C17H16N2S — CID 91438180

IUPAC4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole
SMILESCCc1nc(-c2ccc(-c3ccccc3)nc2)sc1C
InChIInChI=1S/C17H16N2S/c1-3-15-12(2)20-17(19-15)14-9-10-16(18-11-14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyNQIVGNAMMBYPQS-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.74
Rot. Bonds3

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

4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole (PubChem CID 91438180) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole
PubChem CID91438180
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole
SMILESCCc1nc(-c2ccc(-c3ccccc3)nc2)sc1C
InChIInChI=1S/C17H16N2S/c1-3-15-12(2)20-17(19-15)14-9-10-16(18-11-14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyNQIVGNAMMBYPQS-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole (CID 91438180) is 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole is CCc1nc(-c2ccc(-c3ccccc3)nc2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is NQIVGNAMMBYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-3-15-12(2)20-17(19-15)14-9-10-16(18-11-14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole?
4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 280.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 91438180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).