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

C9H13FN2S — CID 130825942

IUPAC1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1(C)CC1F
InChIInChI=1S/C9H13FN2S/c1-9(5-7(9)10)8(11-2)6-3-4-13-12-6/h3-4,7-8,11H,5H2,1-2H3
InChIKeyYANMADMMCCSBLG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.15
Rot. Bonds3

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

1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine (PubChem CID 130825942) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
PubChem CID130825942
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1(C)CC1F
InChIInChI=1S/C9H13FN2S/c1-9(5-7(9)10)8(11-2)6-3-4-13-12-6/h3-4,7-8,11H,5H2,1-2H3
InChIKeyYANMADMMCCSBLG-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine (CID 130825942) is 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine is CNC(c1ccsn1)C1(C)CC1F.
What is the InChIKey of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The InChIKey is YANMADMMCCSBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-9(5-7(9)10)8(11-2)6-3-4-13-12-6/h3-4,7-8,11H,5H2,1-2H3.
What are the key properties of 1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
1-(2-fluoro-1-methylcyclopropyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine has a molecular weight of 200.28 g/mol, XLogP of 2.15, 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-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130825942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).