N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine

C9H15FN2S — CID 103790341

IUPACN-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCCF)c1nccs1
InChIInChI=1S/C9H15FN2S/c1-9(2,12-5-3-4-10)8-11-6-7-13-8/h6-7,12H,3-5H2,1-2H3
InChIKeyWEQLZLJZZATWOJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.33
Rot. Bonds5

About N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine

N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103790341) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103790341
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC NameN-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCCF)c1nccs1
InChIInChI=1S/C9H15FN2S/c1-9(2,12-5-3-4-10)8-11-6-7-13-8/h6-7,12H,3-5H2,1-2H3
InChIKeyWEQLZLJZZATWOJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-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 N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103790341) is N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCCCF)c1nccs1.
What is the InChIKey of N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is WEQLZLJZZATWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-9(2,12-5-3-4-10)8-11-6-7-13-8/h6-7,12H,3-5H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-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 N-(3-fluoropropyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103790341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).