2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole

C17H16N2S — CID 11277481

IUPAC2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1
InChIInChI=1S/C17H16N2S/c1-3-15-19-16(14-6-4-5-12(2)11-14)17(20-15)13-7-9-18-10-8-13/h4-11H,3H2,1-2H3
InChIKeyQUKIIQWKXMTFAE-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.74
Rot. Bonds3

About 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole

2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole (PubChem CID 11277481) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole
PubChem CID11277481
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1
InChIInChI=1S/C17H16N2S/c1-3-15-19-16(14-6-4-5-12(2)11-14)17(20-15)13-7-9-18-10-8-13/h4-11H,3H2,1-2H3
InChIKeyQUKIIQWKXMTFAE-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 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole (CID 11277481) is 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole is CCc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1.
What is the InChIKey of 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole?
The InChIKey is QUKIIQWKXMTFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-3-15-19-16(14-6-4-5-12(2)11-14)17(20-15)13-7-9-18-10-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole?
2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-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 2-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 11277481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).