5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide

C9H7IN2OS2 — CID 104579050

IUPAC5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cncs1)c1csc(I)c1
InChIInChI=1S/C9H7IN2OS2/c10-8-1-6(4-14-8)9(13)12-3-7-2-11-5-15-7/h1-2,4-5H,3H2,(H,12,13)
InChIKeyHPQRWDWRRMIIMI-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.74
Rot. Bonds3

About 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide

5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide (PubChem CID 104579050) has the molecular formula C9H7IN2OS2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
PubChem CID104579050
Molecular FormulaC9H7IN2OS2
Molecular Weight350.21 g/mol
Exact Mass349.90
IUPAC Name5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1cncs1)c1csc(I)c1
InChIInChI=1S/C9H7IN2OS2/c10-8-1-6(4-14-8)9(13)12-3-7-2-11-5-15-7/h1-2,4-5H,3H2,(H,12,13)
InChIKeyHPQRWDWRRMIIMI-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.74
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

3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429009
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
N-[(4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948423
N-[[4-(aminomethyl)phenyl]methyl]-5-iodothiophene-3-carboxamide
CID 81090858
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
5-iodo-N-(2-sulfamoylethyl)thiophene-3-carboxamide
CID 78950626
5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 78950124
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
3-[[(5-iodothiophene-3-carbonyl)amino]methyl]benzoic acid
CID 79685448
5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 113429061
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide (CID 104579050) is 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide is O=C(NCc1cncs1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide?
The InChIKey is HPQRWDWRRMIIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2OS2/c10-8-1-6(4-14-8)9(13)12-3-7-2-11-5-15-7/h1-2,4-5H,3H2,(H,12,13).
What are the key properties of 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide?
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 104579050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).