acetylene;(4-bromo-1,3-thiazol-2-yl)methanol

C6H6BrNOS — CID 143781545

IUPACacetylene;(4-bromo-1,3-thiazol-2-yl)methanol
SMILESC#C.OCc1nc(Br)cs1
InChIInChI=1S/C4H4BrNOS.C2H2/c5-3-2-8-4(1-7)6-3;1-2/h2,7H,1H2;1-2H
InChIKeyVZBNNVHSZDFEJS-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.65
Rot. Bonds1

About acetylene;(4-bromo-1,3-thiazol-2-yl)methanol

acetylene;(4-bromo-1,3-thiazol-2-yl)methanol (PubChem CID 143781545) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is acetylene;(4-bromo-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Nameacetylene;(4-bromo-1,3-thiazol-2-yl)methanol
PubChem CID143781545
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Nameacetylene;(4-bromo-1,3-thiazol-2-yl)methanol
SMILESC#C.OCc1nc(Br)cs1
InChIInChI=1S/C4H4BrNOS.C2H2/c5-3-2-8-4(1-7)6-3;1-2/h2,7H,1H2;1-2H
InChIKeyVZBNNVHSZDFEJS-UHFFFAOYSA-N
XLogP1.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;(4-bromo-1,3-thiazol-2-yl)methanol?
The IUPAC name of acetylene;(4-bromo-1,3-thiazol-2-yl)methanol (CID 143781545) is acetylene;(4-bromo-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for acetylene;(4-bromo-1,3-thiazol-2-yl)methanol?
The canonical SMILES for acetylene;(4-bromo-1,3-thiazol-2-yl)methanol is C#C.OCc1nc(Br)cs1.
What is the InChIKey of acetylene;(4-bromo-1,3-thiazol-2-yl)methanol?
The InChIKey is VZBNNVHSZDFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS.C2H2/c5-3-2-8-4(1-7)6-3;1-2/h2,7H,1H2;1-2H.
What are the key properties of acetylene;(4-bromo-1,3-thiazol-2-yl)methanol?
acetylene;(4-bromo-1,3-thiazol-2-yl)methanol has a molecular weight of 220.09 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(4-bromo-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 143781545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).