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

C15H19FN2S — CID 55102154

IUPACN-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(Cc2ccccc2F)s1
InChIInChI=1S/C15H19FN2S/c1-3-8-17-11(2)14-10-18-15(19-14)9-12-6-4-5-7-13(12)16/h4-7,10-11,17H,3,8-9H2,1-2H3
InChIKeyXNKIOQIRKQWZFM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.93
Rot. Bonds6

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

N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 55102154) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID55102154
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(Cc2ccccc2F)s1
InChIInChI=1S/C15H19FN2S/c1-3-8-17-11(2)14-10-18-15(19-14)9-12-6-4-5-7-13(12)16/h4-7,10-11,17H,3,8-9H2,1-2H3
InChIKeyXNKIOQIRKQWZFM-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 55102154) is N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(Cc2ccccc2F)s1.
What is the InChIKey of N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is XNKIOQIRKQWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-3-8-17-11(2)14-10-18-15(19-14)9-12-6-4-5-7-13(12)16/h4-7,10-11,17H,3,8-9H2,1-2H3.
What are the key properties of N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 55102154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).