N-hydroxy-3-iodothiophene-2-carboxamide

C5H4INO2S — CID 130576418

IUPACN-hydroxy-3-iodothiophene-2-carboxamide
SMILESO=C(NO)c1sccc1I
InChIInChI=1S/C5H4INO2S/c6-3-1-2-10-4(3)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyCXXXXWWFGLXKMQ-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.47
Rot. Bonds1

About N-hydroxy-3-iodothiophene-2-carboxamide

N-hydroxy-3-iodothiophene-2-carboxamide (PubChem CID 130576418) has the molecular formula C5H4INO2S and a molecular weight of 269.06 g/mol. Its IUPAC name is N-hydroxy-3-iodothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-iodothiophene-2-carboxamide
PubChem CID130576418
Molecular FormulaC5H4INO2S
Molecular Weight269.06 g/mol
Exact Mass268.90
IUPAC NameN-hydroxy-3-iodothiophene-2-carboxamide
SMILESO=C(NO)c1sccc1I
InChIInChI=1S/C5H4INO2S/c6-3-1-2-10-4(3)5(8)7-9/h1-2,9H,(H,7,8)
InChIKeyCXXXXWWFGLXKMQ-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
[(3-iodothiophene-2-carbonyl)amino]thiourea
CID 130576836
3-iodo-N-(1,1,1-trifluoropropan-2-yl)thiophene-2-carboxamide
CID 130805140
3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
CID 130992683
3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
CID 130576413
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 130576160
3-iodo-N-[(1-methylazetidin-3-yl)methyl]thiophene-2-carboxamide
CID 130783846
3-(3-iodothiophen-2-yl)-3-oxopropanenitrile
CID 130576825
(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
CID 130576016
(3-iodothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 130765889
(4-bromo-1-methylpyrazol-5-yl)-(3-iodothiophen-2-yl)methanone
CID 130576559
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-iodothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-3-iodothiophene-2-carboxamide (CID 130576418) is N-hydroxy-3-iodothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-3-iodothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-3-iodothiophene-2-carboxamide is O=C(NO)c1sccc1I.
What is the InChIKey of N-hydroxy-3-iodothiophene-2-carboxamide?
The InChIKey is CXXXXWWFGLXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO2S/c6-3-1-2-10-4(3)5(8)7-9/h1-2,9H,(H,7,8).
What are the key properties of N-hydroxy-3-iodothiophene-2-carboxamide?
N-hydroxy-3-iodothiophene-2-carboxamide has a molecular weight of 269.06 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-iodothiophene-2-carboxamide is sourced from PubChem (CID 130576418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).