[3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol

C10H7FINOS — CID 163663071

IUPAC[3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol
SMILESOCc1csnc1-c1ccc(F)cc1I
InChIInChI=1S/C10H7FINOS/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-3,5,14H,4H2
InChIKeyIWAYFESUFRJPGM-UHFFFAOYSA-N
MW335.14 g/mol
LogP3.05
Rot. Bonds2

About [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol

[3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol (PubChem CID 163663071) has the molecular formula C10H7FINOS and a molecular weight of 335.14 g/mol. Its IUPAC name is [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol
PubChem CID163663071
Molecular FormulaC10H7FINOS
Molecular Weight335.14 g/mol
Exact Mass334.93
IUPAC Name[3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol
SMILESOCc1csnc1-c1ccc(F)cc1I
InChIInChI=1S/C10H7FINOS/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-3,5,14H,4H2
InChIKeyIWAYFESUFRJPGM-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 13435381
CID 13435381
CID 90418044
CID 90418044
CID 90418302
CID 90418302
CID 90418304
CID 90418304
CID 90418631
CID 90418631
CID 90418686
CID 90418686
CID 90418726
CID 90418726
CID 90418878
CID 90418878
CID 90418883
CID 90418883
CID 118184939
CID 118184939
CID 118184946
CID 118184946
CID 118198320
CID 118198320

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol (CID 163663071) is [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol is OCc1csnc1-c1ccc(F)cc1I.
What is the InChIKey of [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is IWAYFESUFRJPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FINOS/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-3,5,14H,4H2.
What are the key properties of [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol?
[3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 335.14 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-2-iodophenyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 163663071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).