5-iodo-N-methylthiophene-3-carboxamide

C6H6INOS — CID 78950138

IUPAC5-iodo-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1csc(I)c1
InChIInChI=1S/C6H6INOS/c1-8-6(9)4-2-5(7)10-3-4/h2-3H,1H3,(H,8,9)
InChIKeyPVNJXPFIXGYVBU-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.71
Rot. Bonds1

About 5-iodo-N-methylthiophene-3-carboxamide

5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 78950138) has the molecular formula C6H6INOS and a molecular weight of 267.09 g/mol. Its IUPAC name is 5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-methylthiophene-3-carboxamide
PubChem CID78950138
Molecular FormulaC6H6INOS
Molecular Weight267.09 g/mol
Exact Mass266.92
IUPAC Name5-iodo-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1csc(I)c1
InChIInChI=1S/C6H6INOS/c1-8-6(9)4-2-5(7)10-3-4/h2-3H,1H3,(H,8,9)
InChIKeyPVNJXPFIXGYVBU-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
N'-acetyl-5-iodothiophene-3-carbohydrazide
CID 78950515
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
5-amino-N-methylthiophene-3-carboxamide
CID 131326009
5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
CID 79693424
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
5-iodo-N-(2,4,4-trimethylpentan-2-yl)thiophene-3-carboxamide
CID 79693864

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-methylthiophene-3-carboxamide (CID 78950138) is 5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-methylthiophene-3-carboxamide is CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is PVNJXPFIXGYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INOS/c1-8-6(9)4-2-5(7)10-3-4/h2-3H,1H3,(H,8,9).
What are the key properties of 5-iodo-N-methylthiophene-3-carboxamide?
5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 267.09 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 78950138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).