4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide

C13H12ClIN2OS — CID 47047644

IUPAC4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
SMILESCCc1nc(NC(=O)c2ccc(Cl)cc2I)sc1C
InChIInChI=1S/C13H12ClIN2OS/c1-3-11-7(2)19-13(16-11)17-12(18)9-5-4-8(14)6-10(9)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyRSXWGZWPOKHZJG-UHFFFAOYSA-N
MW406.68 g/mol
LogP4.52
Rot. Bonds3

About 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide

4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide (PubChem CID 47047644) has the molecular formula C13H12ClIN2OS and a molecular weight of 406.68 g/mol. Its IUPAC name is 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
PubChem CID47047644
Molecular FormulaC13H12ClIN2OS
Molecular Weight406.68 g/mol
Exact Mass405.94
IUPAC Name4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
SMILESCCc1nc(NC(=O)c2ccc(Cl)cc2I)sc1C
InChIInChI=1S/C13H12ClIN2OS/c1-3-11-7(2)19-13(16-11)17-12(18)9-5-4-8(14)6-10(9)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyRSXWGZWPOKHZJG-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.68
LogP ≤ 54.52
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

5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 78987642
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
4-(ethylamino)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 81238640
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide?
The IUPAC name of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide (CID 47047644) is 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide is CCc1nc(NC(=O)c2ccc(Cl)cc2I)sc1C.
What is the InChIKey of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide?
The InChIKey is RSXWGZWPOKHZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2OS/c1-3-11-7(2)19-13(16-11)17-12(18)9-5-4-8(14)6-10(9)15/h4-6H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide?
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide has a molecular weight of 406.68 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide is sourced from PubChem (CID 47047644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).