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

C17H11F2IN2OS — CID 38915062

IUPAC4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESCc1sc(NC(=O)c2ccc(F)cc2I)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H11F2IN2OS/c1-9-15(10-2-4-11(18)5-3-10)21-17(24-9)22-16(23)13-7-6-12(19)8-14(13)20/h2-8H,1H3,(H,21,22,23)
InChIKeyRSTPFJOBNZHXIX-UHFFFAOYSA-N
MW456.26 g/mol
LogP5.25
Rot. Bonds3

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

4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide (PubChem CID 38915062) has the molecular formula C17H11F2IN2OS and a molecular weight of 456.26 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
PubChem CID38915062
Molecular FormulaC17H11F2IN2OS
Molecular Weight456.26 g/mol
Exact Mass455.96
IUPAC Name4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESCc1sc(NC(=O)c2ccc(F)cc2I)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H11F2IN2OS/c1-9-15(10-2-4-11(18)5-3-10)21-17(24-9)22-16(23)13-7-6-12(19)8-14(13)20/h2-8H,1H3,(H,21,22,23)
InChIKeyRSTPFJOBNZHXIX-UHFFFAOYSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.26
LogP ≤ 55.25
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-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 48998312
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 28543180
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide?
The IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide (CID 38915062) is 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide is Cc1sc(NC(=O)c2ccc(F)cc2I)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide?
The InChIKey is RSTPFJOBNZHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2IN2OS/c1-9-15(10-2-4-11(18)5-3-10)21-17(24-9)22-16(23)13-7-6-12(19)8-14(13)20/h2-8H,1H3,(H,21,22,23).
What are the key properties of 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide?
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide has a molecular weight of 456.26 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide is sourced from PubChem (CID 38915062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).