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

C11H11FN2S2 — CID 63289568

IUPAC[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1CSc1nccs1
InChIInChI=1S/C11H11FN2S2/c12-10-2-1-8(9(5-10)6-13)7-16-11-14-3-4-15-11/h1-5H,6-7,13H2
InChIKeyPDBZQGJHDBZRAT-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.03
Rot. Bonds4

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

[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 63289568) has the molecular formula C11H11FN2S2 and a molecular weight of 254.36 g/mol. Its IUPAC name is [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID63289568
Molecular FormulaC11H11FN2S2
Molecular Weight254.36 g/mol
Exact Mass254.03
IUPAC Name[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1CSc1nccs1
InChIInChI=1S/C11H11FN2S2/c12-10-2-1-8(9(5-10)6-13)7-16-11-14-3-4-15-11/h1-5H,6-7,13H2
InChIKeyPDBZQGJHDBZRAT-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine (CID 63289568) is [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine is NCc1cc(F)ccc1CSc1nccs1.
What is the InChIKey of [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is PDBZQGJHDBZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S2/c12-10-2-1-8(9(5-10)6-13)7-16-11-14-3-4-15-11/h1-5H,6-7,13H2.
What are the key properties of [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine?
[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 254.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 63289568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).