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

C8H13FN2S — CID 81107306

IUPAC3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1ncc(CNCCCF)s1
InChIInChI=1S/C8H13FN2S/c1-7-11-6-8(12-7)5-10-4-2-3-9/h6,10H,2-5H2,1H3
InChIKeyGKQMYVNAWRCFCT-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.90
Rot. Bonds5

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

3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 81107306) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID81107306
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1ncc(CNCCCF)s1
InChIInChI=1S/C8H13FN2S/c1-7-11-6-8(12-7)5-10-4-2-3-9/h6,10H,2-5H2,1H3
InChIKeyGKQMYVNAWRCFCT-UHFFFAOYSA-N
XLogP1.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 81107306) is 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is Cc1ncc(CNCCCF)s1.
What is the InChIKey of 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is GKQMYVNAWRCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-7-11-6-8(12-7)5-10-4-2-3-9/h6,10H,2-5H2,1H3.
What are the key properties of 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 81107306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).