5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole

C17H13FINS — CID 163416847

IUPAC5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c(I)c1
InChIInChI=1S/C17H13FINS/c1-10-3-8-14(15(19)9-10)17-20-11(2)16(21-17)12-4-6-13(18)7-5-12/h3-9H,1-2H3
InChIKeyAFDHXRDSGLVPOX-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.84
Rot. Bonds2

About 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole

5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole (PubChem CID 163416847) has the molecular formula C17H13FINS and a molecular weight of 409.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole
PubChem CID163416847
Molecular FormulaC17H13FINS
Molecular Weight409.27 g/mol
Exact Mass408.98
IUPAC Name5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c(I)c1
InChIInChI=1S/C17H13FINS/c1-10-3-8-14(15(19)9-10)17-20-11(2)16(21-17)12-4-6-13(18)7-5-12/h3-9H,1-2H3
InChIKeyAFDHXRDSGLVPOX-UHFFFAOYSA-N
XLogP5.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole (CID 163416847) is 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole is Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c(I)c1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is AFDHXRDSGLVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FINS/c1-10-3-8-14(15(19)9-10)17-20-11(2)16(21-17)12-4-6-13(18)7-5-12/h3-9H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole?
5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 409.27 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 163416847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).