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

C11H11FN2S — CID 82054476

IUPAC[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2S/c12-9-3-1-8(2-4-9)5-10-7-14-11(6-13)15-10/h1-4,7H,5-6,13H2
InChIKeyPRPFOLQMHUNRTK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.33
Rot. Bonds3

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

[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 82054476) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID82054476
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2S/c12-9-3-1-8(2-4-9)5-10-7-14-11(6-13)15-10/h1-4,7H,5-6,13H2
InChIKeyPRPFOLQMHUNRTK-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091635
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
CID 95481197
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645265
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 93195048
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110421228
2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 110421182
N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110421238
(5-propyl-1,3-thiazol-2-yl)methanamine
CID 4036260

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine (CID 82054476) is [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine is NCc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is PRPFOLQMHUNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c12-9-3-1-8(2-4-9)5-10-7-14-11(6-13)15-10/h1-4,7H,5-6,13H2.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82054476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).