N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide

C13H8IN3O2S — CID 3272073

IUPACN-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(I)cc12)c1cccs1
InChIInChI=1S/C13H8IN3O2S/c14-7-3-4-9-8(6-7)11(13(19)15-9)16-17-12(18)10-2-1-5-20-10/h1-6,15,19H/b17-16+
InChIKeyTWSCJONEUITPTR-WUKNDPDISA-N
MW397.20 g/mol
LogP4.46
Rot. Bonds2

About N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide

N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide (PubChem CID 3272073) has the molecular formula C13H8IN3O2S and a molecular weight of 397.20 g/mol. Its IUPAC name is N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide
PubChem CID3272073
Molecular FormulaC13H8IN3O2S
Molecular Weight397.20 g/mol
Exact Mass396.94
IUPAC NameN-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(I)cc12)c1cccs1
InChIInChI=1S/C13H8IN3O2S/c14-7-3-4-9-8(6-7)11(13(19)15-9)16-17-12(18)10-2-1-5-20-10/h1-6,15,19H/b17-16+
InChIKeyTWSCJONEUITPTR-WUKNDPDISA-N
XLogP4.46
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.20
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide (CID 3272073) is N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc(I)cc12)c1cccs1.
What is the InChIKey of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide?
The InChIKey is TWSCJONEUITPTR-WUKNDPDISA-N. The full InChI is InChI=1S/C13H8IN3O2S/c14-7-3-4-9-8(6-7)11(13(19)15-9)16-17-12(18)10-2-1-5-20-10/h1-6,15,19H/b17-16+.
What are the key properties of N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide?
N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide has a molecular weight of 397.20 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-iodo-1H-indol-3-yl)imino]thiophene-2-carboxamide is sourced from PubChem (CID 3272073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).