2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole

C13H13FN2OS — CID 167929217

IUPAC2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole
SMILESFc1cc(-c2nc(C3CCCOC3)cs2)ccn1
InChIInChI=1S/C13H13FN2OS/c14-12-6-9(3-4-15-12)13-16-11(8-18-13)10-2-1-5-17-7-10/h3-4,6,8,10H,1-2,5,7H2
InChIKeyJBAWQTSKCQWKAW-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.24
Rot. Bonds2

About 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole

2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole (PubChem CID 167929217) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole
PubChem CID167929217
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole
SMILESFc1cc(-c2nc(C3CCCOC3)cs2)ccn1
InChIInChI=1S/C13H13FN2OS/c14-12-6-9(3-4-15-12)13-16-11(8-18-13)10-2-1-5-17-7-10/h3-4,6,8,10H,1-2,5,7H2
InChIKeyJBAWQTSKCQWKAW-UHFFFAOYSA-N
XLogP3.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole (CID 167929217) is 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole is Fc1cc(-c2nc(C3CCCOC3)cs2)ccn1.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole?
The InChIKey is JBAWQTSKCQWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-12-6-9(3-4-15-12)13-16-11(8-18-13)10-2-1-5-17-7-10/h3-4,6,8,10H,1-2,5,7H2.
What are the key properties of 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole?
2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole has a molecular weight of 264.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)-4-(oxan-3-yl)-1,3-thiazole is sourced from PubChem (CID 167929217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).