3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine

C7H11FN2S — CID 131081467

IUPAC3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine
SMILESCC(CN)C(F)c1ccns1
InChIInChI=1S/C7H11FN2S/c1-5(4-9)7(8)6-2-3-10-11-6/h2-3,5,7H,4,9H2,1H3
InChIKeyCZAYQBPGAPZUQV-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.75
Rot. Bonds3

About 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine

3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine (PubChem CID 131081467) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine
PubChem CID131081467
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine
SMILESCC(CN)C(F)c1ccns1
InChIInChI=1S/C7H11FN2S/c1-5(4-9)7(8)6-2-3-10-11-6/h2-3,5,7H,4,9H2,1H3
InChIKeyCZAYQBPGAPZUQV-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine 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 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine?
The IUPAC name of 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine (CID 131081467) is 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine is CC(CN)C(F)c1ccns1.
What is the InChIKey of 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine?
The InChIKey is CZAYQBPGAPZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-5(4-9)7(8)6-2-3-10-11-6/h2-3,5,7H,4,9H2,1H3.
What are the key properties of 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine?
3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine has a molecular weight of 174.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 131081467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).