5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide

C10H8IN3OS — CID 106832300

IUPAC5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cccnn1)c1csc(I)c1
InChIInChI=1S/C10H8IN3OS/c11-9-4-7(6-16-9)10(15)12-5-8-2-1-3-13-14-8/h1-4,6H,5H2,(H,12,15)
InChIKeyMDLTVYNNADNNJB-UHFFFAOYSA-N
MW345.17 g/mol
LogP2.07
Rot. Bonds3

About 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide

5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 106832300) has the molecular formula C10H8IN3OS and a molecular weight of 345.17 g/mol. Its IUPAC name is 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
PubChem CID106832300
Molecular FormulaC10H8IN3OS
Molecular Weight345.17 g/mol
Exact Mass344.94
IUPAC Name5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cccnn1)c1csc(I)c1
InChIInChI=1S/C10H8IN3OS/c11-9-4-7(6-16-9)10(15)12-5-8-2-1-3-13-14-8/h1-4,6H,5H2,(H,12,15)
InChIKeyMDLTVYNNADNNJB-UHFFFAOYSA-N
XLogP2.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106897508
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
N-[[4-(aminomethyl)phenyl]methyl]-5-iodothiophene-3-carboxamide
CID 81090858
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
N-[(4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948423
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
3-[[(5-iodothiophene-3-carbonyl)amino]methyl]benzoic acid
CID 79685448

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide (CID 106832300) is 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide is O=C(NCc1cccnn1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is MDLTVYNNADNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3OS/c11-9-4-7(6-16-9)10(15)12-5-8-2-1-3-13-14-8/h1-4,6H,5H2,(H,12,15).
What are the key properties of 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide?
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 345.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 106832300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).