[3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

C11H7F3INOS — CID 118184946

IUPAC[3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESOCc1c(-c2ccc(I)cc2)nsc1C(F)(F)F
InChIInChI=1S/C11H7F3INOS/c12-11(13,14)10-8(5-17)9(16-18-10)6-1-3-7(15)4-2-6/h1-4,17H,5H2
InChIKeyVZQBZQFIKSBXLD-UHFFFAOYSA-N
MW385.15 g/mol
LogP3.93
Rot. Bonds2

About [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

[3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 118184946) has the molecular formula C11H7F3INOS and a molecular weight of 385.15 g/mol. Its IUPAC name is [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID118184946
Molecular FormulaC11H7F3INOS
Molecular Weight385.15 g/mol
Exact Mass384.92
IUPAC Name[3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESOCc1c(-c2ccc(I)cc2)nsc1C(F)(F)F
InChIInChI=1S/C11H7F3INOS/c12-11(13,14)10-8(5-17)9(16-18-10)6-1-3-7(15)4-2-6/h1-4,17H,5H2
InChIKeyVZQBZQFIKSBXLD-UHFFFAOYSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 118184946) is [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is OCc1c(-c2ccc(I)cc2)nsc1C(F)(F)F.
What is the InChIKey of [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is VZQBZQFIKSBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3INOS/c12-11(13,14)10-8(5-17)9(16-18-10)6-1-3-7(15)4-2-6/h1-4,17H,5H2.
What are the key properties of [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 385.15 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-iodophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 118184946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).