(5-iodo-1,3-thiazol-2-yl)methanol

C4H4INOS — CID 66224116

IUPAC(5-iodo-1,3-thiazol-2-yl)methanol
SMILESOCc1ncc(I)s1
InChIInChI=1S/C4H4INOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2
InChIKeyQHNGRUPHOMCMPN-UHFFFAOYSA-N
MW241.05 g/mol
LogP1.24
Rot. Bonds1

About (5-iodo-1,3-thiazol-2-yl)methanol

(5-iodo-1,3-thiazol-2-yl)methanol (PubChem CID 66224116) has the molecular formula C4H4INOS and a molecular weight of 241.05 g/mol. Its IUPAC name is (5-iodo-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-iodo-1,3-thiazol-2-yl)methanol
PubChem CID66224116
Molecular FormulaC4H4INOS
Molecular Weight241.05 g/mol
Exact Mass240.91
IUPAC Name(5-iodo-1,3-thiazol-2-yl)methanol
SMILESOCc1ncc(I)s1
InChIInChI=1S/C4H4INOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2
InChIKeyQHNGRUPHOMCMPN-UHFFFAOYSA-N
XLogP1.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 51.24
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 (5-iodo-1,3-thiazol-2-yl)methanol?
The IUPAC name of (5-iodo-1,3-thiazol-2-yl)methanol (CID 66224116) is (5-iodo-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (5-iodo-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (5-iodo-1,3-thiazol-2-yl)methanol is OCc1ncc(I)s1.
What is the InChIKey of (5-iodo-1,3-thiazol-2-yl)methanol?
The InChIKey is QHNGRUPHOMCMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2.
What are the key properties of (5-iodo-1,3-thiazol-2-yl)methanol?
(5-iodo-1,3-thiazol-2-yl)methanol has a molecular weight of 241.05 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 66224116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).