5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol

C15H12FN3OS — CID 171807262

IUPAC5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1cscn1
InChIInChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18)
InChIKeyWKWOQITUVVLWGL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.66
Rot. Bonds4

About 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 171807262) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID171807262
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1cscn1
InChIInChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18)
InChIKeyWKWOQITUVVLWGL-UHFFFAOYSA-N
XLogP3.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol (CID 171807262) is 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1cscn1.
What is the InChIKey of 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is WKWOQITUVVLWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18).
What are the key properties of 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 301.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(1,3-thiazol-4-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 171807262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).