4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C17H13IN2OS — CID 27167049

IUPAC4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(I)cc3)cc2)cs1
InChIInChI=1S/C17H13IN2OS/c1-11-19-16(10-22-11)12-4-8-15(9-5-12)20-17(21)13-2-6-14(18)7-3-13/h2-10H,1H3,(H,20,21)
InChIKeyLMDABIURJUSUDN-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.98
Rot. Bonds3

About 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 27167049) has the molecular formula C17H13IN2OS and a molecular weight of 420.28 g/mol. Its IUPAC name is 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID27167049
Molecular FormulaC17H13IN2OS
Molecular Weight420.28 g/mol
Exact Mass419.98
IUPAC Name4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(I)cc3)cc2)cs1
InChIInChI=1S/C17H13IN2OS/c1-11-19-16(10-22-11)12-4-8-15(9-5-12)20-17(21)13-2-6-14(18)7-3-13/h2-10H,1H3,(H,20,21)
InChIKeyLMDABIURJUSUDN-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

4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
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
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 126092839
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 27167049) is 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccc(NC(=O)c3ccc(I)cc3)cc2)cs1.
What is the InChIKey of 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is LMDABIURJUSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2OS/c1-11-19-16(10-22-11)12-4-8-15(9-5-12)20-17(21)13-2-6-14(18)7-3-13/h2-10H,1H3,(H,20,21).
What are the key properties of 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 27167049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).