N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide

C18H14ClIN2OS — CID 121123060

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1I
InChIInChI=1S/C18H14ClIN2OS/c1-11-16(10-21-17(23)13-7-3-5-9-15(13)20)24-18(22-11)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,21,23)
InChIKeyOWBFIOZCAGOVFN-UHFFFAOYSA-N
MW468.75 g/mol
LogP5.31
Rot. Bonds4

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide (PubChem CID 121123060) has the molecular formula C18H14ClIN2OS and a molecular weight of 468.75 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
PubChem CID121123060
Molecular FormulaC18H14ClIN2OS
Molecular Weight468.75 g/mol
Exact Mass467.96
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1I
InChIInChI=1S/C18H14ClIN2OS/c1-11-16(10-21-17(23)13-7-3-5-9-15(13)20)24-18(22-11)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,21,23)
InChIKeyOWBFIOZCAGOVFN-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
2-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-nitrobenzamide
CID 121123062
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 121123189
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121123180
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
(2S)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 97040611
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 121123057

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide (CID 121123060) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1I.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide?
The InChIKey is OWBFIOZCAGOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClIN2OS/c1-11-16(10-21-17(23)13-7-3-5-9-15(13)20)24-18(22-11)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide has a molecular weight of 468.75 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide is sourced from PubChem (CID 121123060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).