(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol

C9H6F2N2OS — CID 105094780

IUPAC(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1cc(F)ccc1F
InChIInChI=1S/C9H6F2N2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-12-15-13-8/h1-4,9,14H
InChIKeyKQHHYYXDGSXPQW-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.90
Rot. Bonds2

About (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol

(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105094780) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105094780
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1cc(F)ccc1F
InChIInChI=1S/C9H6F2N2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-12-15-13-8/h1-4,9,14H
InChIKeyKQHHYYXDGSXPQW-UHFFFAOYSA-N
XLogP1.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
(2,5-difluorophenyl)-(4-methylthiadiazol-5-yl)methanol
CID 105094790
1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146497
2-(2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105133056
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
CID 23114659
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
CID 105118765
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105094780) is (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol is OC(c1cnsn1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is KQHHYYXDGSXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-12-15-13-8/h1-4,9,14H.
What are the key properties of (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol?
(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 228.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105094780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).