[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C17H13FIN3O2S — CID 25011840

IUPAC[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSC1
InChIInChI=1S/C17H13FIN3O2S/c18-12-7-10(19)1-2-13(12)21-15-11-8-20-4-3-14(11)24-16(15)17(23)22-5-6-25-9-22/h1-4,7-8,21H,5-6,9H2
InChIKeyWIOIAJPRHVAPOC-UHFFFAOYSA-N
MW469.28 g/mol
LogP4.46
Rot. Bonds3

About [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 25011840) has the molecular formula C17H13FIN3O2S and a molecular weight of 469.28 g/mol. Its IUPAC name is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID25011840
Molecular FormulaC17H13FIN3O2S
Molecular Weight469.28 g/mol
Exact Mass468.98
IUPAC Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSC1
InChIInChI=1S/C17H13FIN3O2S/c18-12-7-10(19)1-2-13(12)21-15-11-8-20-4-3-14(11)24-16(15)17(23)22-5-6-25-9-22/h1-4,7-8,21H,5-6,9H2
InChIKeyWIOIAJPRHVAPOC-UHFFFAOYSA-N
XLogP4.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 25011840) is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone is O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSC1.
What is the InChIKey of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is WIOIAJPRHVAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FIN3O2S/c18-12-7-10(19)1-2-13(12)21-15-11-8-20-4-3-14(11)24-16(15)17(23)22-5-6-25-9-22/h1-4,7-8,21H,5-6,9H2.
What are the key properties of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 469.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 25011840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).