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

C10H4FIN2S — CID 133060902

IUPAC5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(I)sc1-c1ccc(F)cc1
InChIInChI=1S/C10H4FIN2S/c11-7-3-1-6(2-4-7)9-8(5-13)14-10(12)15-9/h1-4H
InChIKeyXMHMLVGHKRFMMI-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.43
Rot. Bonds1

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

5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile (PubChem CID 133060902) has the molecular formula C10H4FIN2S and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile
PubChem CID133060902
Molecular FormulaC10H4FIN2S
Molecular Weight330.13 g/mol
Exact Mass329.91
IUPAC Name5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(I)sc1-c1ccc(F)cc1
InChIInChI=1S/C10H4FIN2S/c11-7-3-1-6(2-4-7)9-8(5-13)14-10(12)15-9/h1-4H
InChIKeyXMHMLVGHKRFMMI-UHFFFAOYSA-N
XLogP3.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine
CID 133058155
5-(4-fluorophenyl)-2-methyl-1H-imidazole-4-carbonitrile
CID 82373801
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
CID 11665598
4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867055
5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 69058774
3-(4-fluorophenyl)pyridine-2-carbonitrile
CID 46312083
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618423
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
5-(4-fluorophenyl)pyrimidine-2-carbonitrile
CID 608076

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile (CID 133060902) is 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile is N#Cc1nc(I)sc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile?
The InChIKey is XMHMLVGHKRFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FIN2S/c11-7-3-1-6(2-4-7)9-8(5-13)14-10(12)15-9/h1-4H.
What are the key properties of 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile?
5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile has a molecular weight of 330.13 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 133060902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).