2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide

C11H9IN2OS — CID 49346233

IUPAC2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccccc1I
InChIInChI=1S/C11H9IN2OS/c12-10-4-2-1-3-9(10)11(15)13-5-8-6-16-7-14-8/h1-4,6-7H,5H2,(H,13,15)
InChIKeyISPBCOANDOFMLQ-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.68
Rot. Bonds3

About 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide

2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 49346233) has the molecular formula C11H9IN2OS and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID49346233
Molecular FormulaC11H9IN2OS
Molecular Weight344.18 g/mol
Exact Mass343.95
IUPAC Name2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccccc1I
InChIInChI=1S/C11H9IN2OS/c12-10-4-2-1-3-9(10)11(15)13-5-8-6-16-7-14-8/h1-4,6-7H,5H2,(H,13,15)
InChIKeyISPBCOANDOFMLQ-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 49346434
3-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 105072187
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 49346233) is 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is ISPBCOANDOFMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2OS/c12-10-4-2-1-3-9(10)11(15)13-5-8-6-16-7-14-8/h1-4,6-7H,5H2,(H,13,15).
What are the key properties of 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide?
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 344.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 49346233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).