N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C17H13IN2OS — CID 126092839

IUPACN-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccccc3I)cc2)cs1
InChIInChI=1S/C17H13IN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21)
InChIKeyZSIFMRXDKMGXQO-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.98
Rot. Bonds3

About N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 126092839) has the molecular formula C17H13IN2OS and a molecular weight of 420.28 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID126092839
Molecular FormulaC17H13IN2OS
Molecular Weight420.28 g/mol
Exact Mass419.98
IUPAC NameN-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccccc3I)cc2)cs1
InChIInChI=1S/C17H13IN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21)
InChIKeyZSIFMRXDKMGXQO-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.98
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

N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 126092839) is N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3ccccc3I)cc2)cs1.
What is the InChIKey of N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is ZSIFMRXDKMGXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 420.28 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 126092839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).