1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C10H15FN2S — CID 130855797

IUPAC1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)C1(C)CC1F
InChIInChI=1S/C10H15FN2S/c1-6-13-7(5-14-6)9(12-3)10(2)4-8(10)11/h5,8-9,12H,4H2,1-3H3
InChIKeyIUNKYJILEMRUEU-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 130855797) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID130855797
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)C1(C)CC1F
InChIInChI=1S/C10H15FN2S/c1-6-13-7(5-14-6)9(12-3)10(2)4-8(10)11/h5,8-9,12H,4H2,1-3H3
InChIKeyIUNKYJILEMRUEU-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 130855797) is 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CNC(c1csc(C)n1)C1(C)CC1F.
What is the InChIKey of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is IUNKYJILEMRUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-6-13-7(5-14-6)9(12-3)10(2)4-8(10)11/h5,8-9,12H,4H2,1-3H3.
What are the key properties of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 130855797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).