[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine

C11H11FN2S — CID 79824515

IUPAC[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
SMILESNCc1cc(Cc2nccs2)ccc1F
InChIInChI=1S/C11H11FN2S/c12-10-2-1-8(5-9(10)7-13)6-11-14-3-4-15-11/h1-5H,6-7,13H2
InChIKeySMFZNSMHWLXJQC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.33
Rot. Bonds3

About [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine

[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine (PubChem CID 79824515) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
PubChem CID79824515
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
SMILESNCc1cc(Cc2nccs2)ccc1F
InChIInChI=1S/C11H11FN2S/c12-10-2-1-8(5-9(10)7-13)6-11-14-3-4-15-11/h1-5H,6-7,13H2
InChIKeySMFZNSMHWLXJQC-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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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine (CID 79824515) is [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine is NCc1cc(Cc2nccs2)ccc1F.
What is the InChIKey of [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
The InChIKey is SMFZNSMHWLXJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c12-10-2-1-8(5-9(10)7-13)6-11-14-3-4-15-11/h1-5H,6-7,13H2.
What are the key properties of [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine?
[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]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 [2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 79824515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).