1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine

C8H13FN2S — CID 84770825

IUPAC1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ncc(CF)s1
InChIInChI=1S/C8H13FN2S/c1-6(10-2)3-8-11-5-7(4-9)12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyQQERRLNXAXUJOQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.76
Rot. Bonds4

About 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine

1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (PubChem CID 84770825) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
PubChem CID84770825
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ncc(CF)s1
InChIInChI=1S/C8H13FN2S/c1-6(10-2)3-8-11-5-7(4-9)12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyQQERRLNXAXUJOQ-UHFFFAOYSA-N
XLogP1.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
2-Ethyl-5-methylthiazole
CID 519733
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-Butyl-5-methylthiazole
CID 574900
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474

Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (CID 84770825) is 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ncc(CF)s1.
What is the InChIKey of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is QQERRLNXAXUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-6(10-2)3-8-11-5-7(4-9)12-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 84770825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).