2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C6H8INOS — CID 137495706

IUPAC2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(C(I)CO)cs1
InChIInChI=1S/C6H8INOS/c1-4-8-6(3-10-4)5(7)2-9/h3,5,9H,2H2,1H3
InChIKeyYVPLJYILZUGLOX-UHFFFAOYSA-N
MW269.11 g/mol
LogP1.92
Rot. Bonds2

About 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol

2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 137495706) has the molecular formula C6H8INOS and a molecular weight of 269.11 g/mol. Its IUPAC name is 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID137495706
Molecular FormulaC6H8INOS
Molecular Weight269.11 g/mol
Exact Mass268.94
IUPAC Name2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(C(I)CO)cs1
InChIInChI=1S/C6H8INOS/c1-4-8-6(3-10-4)5(7)2-9/h3,5,9H,2H2,1H3
InChIKeyYVPLJYILZUGLOX-UHFFFAOYSA-N
XLogP1.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 105127443
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
CID 105102094
1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113472332

Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 137495706) is 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(C(I)CO)cs1.
What is the InChIKey of 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is YVPLJYILZUGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INOS/c1-4-8-6(3-10-4)5(7)2-9/h3,5,9H,2H2,1H3.
What are the key properties of 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 269.11 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 137495706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).