2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine

C14H17FN2S — CID 62514193

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cccc(F)c1)Cc1cscn1
InChIInChI=1S/C14H17FN2S/c1-16-8-12(7-14-9-18-10-17-14)5-11-3-2-4-13(15)6-11/h2-4,6,9-10,12,16H,5,7-8H2,1H3
InChIKeyLWGLIOIOQJBAMB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine

2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 62514193) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID62514193
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cccc(F)c1)Cc1cscn1
InChIInChI=1S/C14H17FN2S/c1-16-8-12(7-14-9-18-10-17-14)5-11-3-2-4-13(15)6-11/h2-4,6,9-10,12,16H,5,7-8H2,1H3
InChIKeyLWGLIOIOQJBAMB-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine (CID 62514193) is 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine is CNCC(Cc1cccc(F)c1)Cc1cscn1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is LWGLIOIOQJBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-16-8-12(7-14-9-18-10-17-14)5-11-3-2-4-13(15)6-11/h2-4,6,9-10,12,16H,5,7-8H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 62514193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).