2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C7H11FN2S — CID 80695663

IUPAC2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNCCF)n1
InChIInChI=1S/C7H11FN2S/c1-6-5-11-7(10-6)4-9-3-2-8/h5,9H,2-4H2,1H3
InChIKeyXSONUULDDWZEBN-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.51
Rot. Bonds4

About 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 80695663) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID80695663
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNCCF)n1
InChIInChI=1S/C7H11FN2S/c1-6-5-11-7(10-6)4-9-3-2-8/h5,9H,2-4H2,1H3
InChIKeyXSONUULDDWZEBN-UHFFFAOYSA-N
XLogP1.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
CID 104770025
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 116679709
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 80695663) is 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNCCF)n1.
What is the InChIKey of 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is XSONUULDDWZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-6-5-11-7(10-6)4-9-3-2-8/h5,9H,2-4H2,1H3.
What are the key properties of 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 174.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 80695663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).