1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol

C16H13FN2OS — CID 89477926

IUPAC1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1cc(-c2ccc(F)cc2)sn1
InChIInChI=1S/C16H13FN2OS/c17-13-3-1-12(2-4-13)16-10-14(19-21-16)15(20)9-11-5-7-18-8-6-11/h1-8,10,15,20H,9H2
InChIKeySSIUYONVBPOOIK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.62
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol

1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol (PubChem CID 89477926) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol
PubChem CID89477926
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)c1cc(-c2ccc(F)cc2)sn1
InChIInChI=1S/C16H13FN2OS/c17-13-3-1-12(2-4-13)16-10-14(19-21-16)15(20)9-11-5-7-18-8-6-11/h1-8,10,15,20H,9H2
InChIKeySSIUYONVBPOOIK-UHFFFAOYSA-N
XLogP3.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol (CID 89477926) is 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol is OC(Cc1ccncc1)c1cc(-c2ccc(F)cc2)sn1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol?
The InChIKey is SSIUYONVBPOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-13-3-1-12(2-4-13)16-10-14(19-21-16)15(20)9-11-5-7-18-8-6-11/h1-8,10,15,20H,9H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol?
1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol has a molecular weight of 300.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2-thiazol-3-yl]-2-pyridin-4-ylethanol is sourced from PubChem (CID 89477926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).