1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C13H15FN2S — CID 62049333

IUPAC1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cscn1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c1-2-13(10-3-5-11(14)6-4-10)15-7-12-8-17-9-16-12/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyWMZRTVZRLWIFMF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 62049333) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID62049333
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cscn1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c1-2-13(10-3-5-11(14)6-4-10)15-7-12-8-17-9-16-12/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyWMZRTVZRLWIFMF-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557
(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 97249715
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
1-(4-fluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103882349
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 97230778
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 63001649

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 62049333) is 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CCC(NCc1cscn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is WMZRTVZRLWIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-13(10-3-5-11(14)6-4-10)15-7-12-8-17-9-16-12/h3-6,8-9,13,15H,2,7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62049333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).