[5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine

C5H7FN2S — CID 84762942

IUPAC[5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(CF)s1
InChIInChI=1S/C5H7FN2S/c6-1-4-3-8-5(2-7)9-4/h3H,1-2,7H2
InChIKeyQACUMMHKPGRKBW-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.07
Rot. Bonds2

About [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine

[5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 84762942) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID84762942
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name[5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(CF)s1
InChIInChI=1S/C5H7FN2S/c6-1-4-3-8-5(2-7)9-4/h3H,1-2,7H2
InChIKeyQACUMMHKPGRKBW-UHFFFAOYSA-N
XLogP1.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethylthiazole
CID 77837
2-Chloro-5-aminomethylthiazole
CID 10154129
[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
2-Ethyl-5-methylthiazole
CID 519733
5-(Aminomethyl)-1,3-thiazole
CID 5304077
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
(1,3-Thiazol-5-yl)methanamine hydrochloride
CID 17750968
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
2-Fluoro-5-methyl-1,3-thiazole
CID 20691940
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391

Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 84762942) is [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine is NCc1ncc(CF)s1.
What is the InChIKey of [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is QACUMMHKPGRKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c6-1-4-3-8-5(2-7)9-4/h3H,1-2,7H2.
What are the key properties of [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine?
[5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 146.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 84762942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).