1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol

C14H16INOS — CID 112755578

IUPAC1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2ncc(I)s2)c(C)c1
InChIInChI=1S/C14H16INOS/c1-8-4-9(2)11(10(3)5-8)6-12(17)14-16-7-13(15)18-14/h4-5,7,12,17H,6H2,1-3H3
InChIKeyCQMIFBRHLDIPLL-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.95
Rot. Bonds3

About 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol

1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 112755578) has the molecular formula C14H16INOS and a molecular weight of 373.26 g/mol. Its IUPAC name is 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID112755578
Molecular FormulaC14H16INOS
Molecular Weight373.26 g/mol
Exact Mass373.00
IUPAC Name1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2ncc(I)s2)c(C)c1
InChIInChI=1S/C14H16INOS/c1-8-4-9(2)11(10(3)5-8)6-12(17)14-16-7-13(15)18-14/h4-5,7,12,17H,6H2,1-3H3
InChIKeyCQMIFBRHLDIPLL-UHFFFAOYSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.95
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 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol (CID 112755578) is 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2ncc(I)s2)c(C)c1.
What is the InChIKey of 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is CQMIFBRHLDIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INOS/c1-8-4-9(2)11(10(3)5-8)6-12(17)14-16-7-13(15)18-14/h4-5,7,12,17H,6H2,1-3H3.
What are the key properties of 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 373.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 112755578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).