3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine

C9H15FN2S — CID 71190891

IUPAC3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
SMILESCCC(F)(CCNC)c1nccs1
InChIInChI=1S/C9H15FN2S/c1-3-9(10,4-5-11-2)8-12-6-7-13-8/h6-7,11H,3-5H2,1-2H3
InChIKeyOMDHRNMESFBTIS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.33
Rot. Bonds5

About 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine

3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine (PubChem CID 71190891) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
PubChem CID71190891
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
SMILESCCC(F)(CCNC)c1nccs1
InChIInChI=1S/C9H15FN2S/c1-3-9(10,4-5-11-2)8-12-6-7-13-8/h6-7,11H,3-5H2,1-2H3
InChIKeyOMDHRNMESFBTIS-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-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

Related Compounds

2-Isobutylthiazole
CID 62725
2-(1-Methylpropyl)thiazole
CID 519539
2-Thiazolylethylamine
CID 87653
2-Butylthiazole
CID 3015925
2-(Sec-Butyl)Thiazole
CID 5289510
2-Pentylthiazole
CID 22150015
4-(1,3-Thiazol-2-yl)piperidine
CID 24261825
2-(Pyrrolidin-2-yl)-1,3-thiazole
CID 3358090
2-(1,3-Thiazol-2-yl)piperidine
CID 3625593
3-(2-Thiazolyl)piperidine
CID 24261802
2-(1,3-Thiazol-2-yl)butan-2-amine
CID 53534946
Methyl[2-(1,3-thiazol-2-yl)ethyl]amine
CID 10012009

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine (CID 71190891) is 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine is CCC(F)(CCNC)c1nccs1.
What is the InChIKey of 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine?
The InChIKey is OMDHRNMESFBTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-3-9(10,4-5-11-2)8-12-6-7-13-8/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine?
3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 71190891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).