1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol

C7H5F3INOS — CID 130564686

IUPAC1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)c1ncc(I)s1)C(F)(F)F
InChIInChI=1S/C7H5F3INOS/c1-3(7(8,9)10)5(13)6-12-2-4(11)14-6/h2,5,13H,1H2
InChIKeyGHCSDZPBVVOQEX-UHFFFAOYSA-N
MW335.09 g/mol
LogP2.90
Rot. Bonds2

About 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol

1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 130564686) has the molecular formula C7H5F3INOS and a molecular weight of 335.09 g/mol. Its IUPAC name is 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID130564686
Molecular FormulaC7H5F3INOS
Molecular Weight335.09 g/mol
Exact Mass334.91
IUPAC Name1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)c1ncc(I)s1)C(F)(F)F
InChIInChI=1S/C7H5F3INOS/c1-3(7(8,9)10)5(13)6-12-2-4(11)14-6/h2,5,13H,1H2
InChIKeyGHCSDZPBVVOQEX-UHFFFAOYSA-N
XLogP2.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol (CID 130564686) is 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)c1ncc(I)s1)C(F)(F)F.
What is the InChIKey of 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is GHCSDZPBVVOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INOS/c1-3(7(8,9)10)5(13)6-12-2-4(11)14-6/h2,5,13H,1H2.
What are the key properties of 1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
1-(5-iodo-1,3-thiazol-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 335.09 g/mol, XLogP of 2.90, 2 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-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 130564686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).