2-ethyl-5-pyridin-4-yl-1,3-thiazole

C10H10N2S — CID 89469223

IUPAC2-ethyl-5-pyridin-4-yl-1,3-thiazole
SMILESCCc1ncc(-c2ccncc2)s1
InChIInChI=1S/C10H10N2S/c1-2-10-12-7-9(13-10)8-3-5-11-6-4-8/h3-7H,2H2,1H3
InChIKeyVRKNEDXIUXOCPX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.77
Rot. Bonds2

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

2-ethyl-5-pyridin-4-yl-1,3-thiazole (PubChem CID 89469223) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-ethyl-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-pyridin-4-yl-1,3-thiazole
PubChem CID89469223
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-ethyl-5-pyridin-4-yl-1,3-thiazole
SMILESCCc1ncc(-c2ccncc2)s1
InChIInChI=1S/C10H10N2S/c1-2-10-12-7-9(13-10)8-3-5-11-6-4-8/h3-7H,2H2,1H3
InChIKeyVRKNEDXIUXOCPX-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-ethyl-5-pyridin-4-yl-1,3-thiazole (CID 89469223) is 2-ethyl-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-pyridin-4-yl-1,3-thiazole is CCc1ncc(-c2ccncc2)s1.
What is the InChIKey of 2-ethyl-5-pyridin-4-yl-1,3-thiazole?
The InChIKey is VRKNEDXIUXOCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-10-12-7-9(13-10)8-3-5-11-6-4-8/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-5-pyridin-4-yl-1,3-thiazole?
2-ethyl-5-pyridin-4-yl-1,3-thiazole has a molecular weight of 190.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 89469223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).