(4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone

C18H15FIN3O2S — CID 157178894

IUPAC(4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone
SMILESNC1CON(C(=O)c2c(Cc3ccc(I)cc3F)sc3ncccc23)C1
InChIInChI=1S/C18H15FIN3O2S/c19-14-7-11(20)4-3-10(14)6-15-16(13-2-1-5-22-17(13)26-15)18(24)23-8-12(21)9-25-23/h1-5,7,12H,6,8-9,21H2
InChIKeyLNIZUKWDTVOHMY-UHFFFAOYSA-N
MW483.31 g/mol
LogP3.35
Rot. Bonds3

About (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone

(4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone (PubChem CID 157178894) has the molecular formula C18H15FIN3O2S and a molecular weight of 483.31 g/mol. Its IUPAC name is (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone
PubChem CID157178894
Molecular FormulaC18H15FIN3O2S
Molecular Weight483.31 g/mol
Exact Mass482.99
IUPAC Name(4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone
SMILESNC1CON(C(=O)c2c(Cc3ccc(I)cc3F)sc3ncccc23)C1
InChIInChI=1S/C18H15FIN3O2S/c19-14-7-11(20)4-3-10(14)6-15-16(13-2-1-5-22-17(13)26-15)18(24)23-8-12(21)9-25-23/h1-5,7,12H,6,8-9,21H2
InChIKeyLNIZUKWDTVOHMY-UHFFFAOYSA-N
XLogP3.35
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 53.35
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 (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone (CID 157178894) is (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone is NC1CON(C(=O)c2c(Cc3ccc(I)cc3F)sc3ncccc23)C1.
What is the InChIKey of (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone?
The InChIKey is LNIZUKWDTVOHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O2S/c19-14-7-11(20)4-3-10(14)6-15-16(13-2-1-5-22-17(13)26-15)18(24)23-8-12(21)9-25-23/h1-5,7,12H,6,8-9,21H2.
What are the key properties of (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone?
(4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone has a molecular weight of 483.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2-oxazolidin-2-yl)-[2-[(2-fluoro-4-iodophenyl)methyl]thieno[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 157178894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).