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

C14H17FN2S — CID 79824734

IUPACN-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cc2nccs2)ccc1F
InChIInChI=1S/C14H17FN2S/c1-2-5-16-10-12-8-11(3-4-13(12)15)9-14-17-6-7-18-14/h3-4,6-8,16H,2,5,9-10H2,1H3
InChIKeyQVFFYMKPUBEGNH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds6

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

N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine (PubChem CID 79824734) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
PubChem CID79824734
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cc2nccs2)ccc1F
InChIInChI=1S/C14H17FN2S/c1-2-5-16-10-12-8-11(3-4-13(12)15)9-14-17-6-7-18-14/h3-4,6-8,16H,2,5,9-10H2,1H3
InChIKeyQVFFYMKPUBEGNH-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
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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Related Compounds

1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79823518
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851
[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824515
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63887724
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 114076795
N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824844
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196333
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine (CID 79824734) is N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine is CCCNCc1cc(Cc2nccs2)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine?
The InChIKey is QVFFYMKPUBEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-5-16-10-12-8-11(3-4-13(12)15)9-14-17-6-7-18-14/h3-4,6-8,16H,2,5,9-10H2,1H3.
What are the key properties of N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79824734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).