2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole

C9H6FIN2S — CID 118944509

IUPAC2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole
SMILESCc1sc(-c2cncc(F)c2)nc1I
InChIInChI=1S/C9H6FIN2S/c1-5-8(11)13-9(14-5)6-2-7(10)4-12-3-6/h2-4H,1H3
InChIKeyHGQLJCIPZAGKOG-UHFFFAOYSA-N
MW320.13 g/mol
LogP3.26
Rot. Bonds1

About 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole

2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole (PubChem CID 118944509) has the molecular formula C9H6FIN2S and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole
PubChem CID118944509
Molecular FormulaC9H6FIN2S
Molecular Weight320.13 g/mol
Exact Mass319.93
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole
SMILESCc1sc(-c2cncc(F)c2)nc1I
InChIInChI=1S/C9H6FIN2S/c1-5-8(11)13-9(14-5)6-2-7(10)4-12-3-6/h2-4H,1H3
InChIKeyHGQLJCIPZAGKOG-UHFFFAOYSA-N
XLogP3.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 53.26
H-Bond Donors ≤ 50
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 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole (CID 118944509) is 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole is Cc1sc(-c2cncc(F)c2)nc1I.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole?
The InChIKey is HGQLJCIPZAGKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIN2S/c1-5-8(11)13-9(14-5)6-2-7(10)4-12-3-6/h2-4H,1H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole?
2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole has a molecular weight of 320.13 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole is sourced from PubChem (CID 118944509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).