(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol

C9H7FN2OS — CID 104738089

IUPAC(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol
SMILESOC(c1cscn1)c1ccncc1F
InChIInChI=1S/C9H7FN2OS/c10-7-3-11-2-1-6(7)9(13)8-4-14-5-12-8/h1-5,9,13H
InChIKeyMYXXDPVSXSWUQP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol

(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol (PubChem CID 104738089) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol
PubChem CID104738089
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol
SMILESOC(c1cscn1)c1ccncc1F
InChIInChI=1S/C9H7FN2OS/c10-7-3-11-2-1-6(7)9(13)8-4-14-5-12-8/h1-5,9,13H
InChIKeyMYXXDPVSXSWUQP-UHFFFAOYSA-N
XLogP1.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
CID 104737732
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104737571
1,3-thiazol-4-ylmethanediol
CID 59870088
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
CID 104737555
(5-amino-1-methylpyrazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 130670447
(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
CID 105126834
1,3-thiazol-4-yl(thiophen-2-yl)methanol
CID 78923935
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol (CID 104738089) is (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol is OC(c1cscn1)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol?
The InChIKey is MYXXDPVSXSWUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-3-11-2-1-6(7)9(13)8-4-14-5-12-8/h1-5,9,13H.
What are the key properties of (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol?
(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol has a molecular weight of 210.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 104738089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).