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

C14H17FN2S — CID 50959377

IUPAC1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)Cc2cccc(F)c2)cs1
InChIInChI=1S/C14H17FN2S/c1-10(6-12-4-3-5-13(15)7-12)16-8-14-9-18-11(2)17-14/h3-5,7,9-10,16H,6,8H2,1-2H3
InChIKeyXREIZRAAMOTGJL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.31
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 50959377) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID50959377
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)Cc2cccc(F)c2)cs1
InChIInChI=1S/C14H17FN2S/c1-10(6-12-4-3-5-13(15)7-12)16-8-14-9-18-11(2)17-14/h3-5,7,9-10,16H,6,8H2,1-2H3
InChIKeyXREIZRAAMOTGJL-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 50959377) is 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is Cc1nc(CNC(C)Cc2cccc(F)c2)cs1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is XREIZRAAMOTGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-10(6-12-4-3-5-13(15)7-12)16-8-14-9-18-11(2)17-14/h3-5,7,9-10,16H,6,8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 50959377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).