[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine

C10H8FIN2S — CID 133058155

IUPAC[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(I)sc1-c1ccc(F)cc1
InChIInChI=1S/C10H8FIN2S/c11-7-3-1-6(2-4-7)9-8(5-13)14-10(12)15-9/h1-4H,5,13H2
InChIKeyAWOUYWLUPJPARV-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.01
Rot. Bonds2

About [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine

[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine (PubChem CID 133058155) has the molecular formula C10H8FIN2S and a molecular weight of 334.16 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine
PubChem CID133058155
Molecular FormulaC10H8FIN2S
Molecular Weight334.16 g/mol
Exact Mass333.94
IUPAC Name[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(I)sc1-c1ccc(F)cc1
InChIInChI=1S/C10H8FIN2S/c11-7-3-1-6(2-4-7)9-8(5-13)14-10(12)15-9/h1-4H,5,13H2
InChIKeyAWOUYWLUPJPARV-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.01
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-(4-fluorophenyl)-2-iodo-1,3-thiazole-4-carbonitrile
CID 133060902
[2-[(4-fluorophenyl)methyl]-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716657
4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
CID 142101432
[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717494
[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 79718586
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618423
4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole
CID 133055279
[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82472240
N-[[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 114834508
[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 114895368

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine (CID 133058155) is [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine is NCc1nc(I)sc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine?
The InChIKey is AWOUYWLUPJPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN2S/c11-7-3-1-6(2-4-7)9-8(5-13)14-10(12)15-9/h1-4H,5,13H2.
What are the key properties of [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine?
[5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine has a molecular weight of 334.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-iodo-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 133058155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).