[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol

C11H9F2NO2S — CID 57315760

IUPAC[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol
SMILESOC(O)c1csc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H9F2NO2S/c12-7-1-6(2-8(13)4-7)3-10-14-9(5-17-10)11(15)16/h1-2,4-5,11,15-16H,3H2
InChIKeyUKMBHYXTGSKOJX-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.00
Rot. Bonds3

About [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol

[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol (PubChem CID 57315760) has the molecular formula C11H9F2NO2S and a molecular weight of 257.26 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol
PubChem CID57315760
Molecular FormulaC11H9F2NO2S
Molecular Weight257.26 g/mol
Exact Mass257.03
IUPAC Name[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol
SMILESOC(O)c1csc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H9F2NO2S/c12-7-1-6(2-8(13)4-7)3-10-14-9(5-17-10)11(15)16/h1-2,4-5,11,15-16H,3H2
InChIKeyUKMBHYXTGSKOJX-UHFFFAOYSA-N
XLogP2.00
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol?
The IUPAC name of [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol (CID 57315760) is [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol?
The canonical SMILES for [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol is OC(O)c1csc(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol?
The InChIKey is UKMBHYXTGSKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2S/c12-7-1-6(2-8(13)4-7)3-10-14-9(5-17-10)11(15)16/h1-2,4-5,11,15-16H,3H2.
What are the key properties of [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol?
[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol has a molecular weight of 257.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanediol is sourced from PubChem (CID 57315760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).