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

C8H6INOS2 — CID 131122860

IUPAC(5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1csc(I)c1)c1ccsn1
InChIInChI=1S/C8H6INOS2/c9-7-3-5(4-12-7)8(11)6-1-2-13-10-6/h1-4,8,11H
InChIKeyFNUWZBDKAPUYNW-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.89
Rot. Bonds2

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

(5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 131122860) has the molecular formula C8H6INOS2 and a molecular weight of 323.18 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID131122860
Molecular FormulaC8H6INOS2
Molecular Weight323.18 g/mol
Exact Mass322.89
IUPAC Name(5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESOC(c1csc(I)c1)c1ccsn1
InChIInChI=1S/C8H6INOS2/c9-7-3-5(4-12-7)8(11)6-1-2-13-10-6/h1-4,8,11H
InChIKeyFNUWZBDKAPUYNW-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-Thiazol-3-yl)-1-thiophen-3-ylethanol
CID 127003876
(2-Chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130606658
(5-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130625390
(2-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130631086
1,2-Thiazol-3-yl(thiophen-2-yl)methanol
CID 130658815
1,2-Thiazol-3-yl(thiolan-3-yl)methanol
CID 130694348
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
1-(3-Methylthiophen-2-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130965084
(4-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131033823

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol (CID 131122860) is (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol is OC(c1csc(I)c1)c1ccsn1.
What is the InChIKey of (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is FNUWZBDKAPUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6INOS2/c9-7-3-5(4-12-7)8(11)6-1-2-13-10-6/h1-4,8,11H.
What are the key properties of (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
(5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 323.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 131122860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).