4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline

C15H18FN3OS — CID 68803857

IUPAC4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline
SMILESFc1ccc(NCCc2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18FN3OS/c16-12-1-3-13(4-2-12)17-6-5-14-11-21-15(18-14)19-7-9-20-10-8-19/h1-4,11,17H,5-10H2
InChIKeyNARPENFFCJKZCW-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.77
Rot. Bonds5

About 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline

4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 68803857) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID68803857
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline
SMILESFc1ccc(NCCc2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18FN3OS/c16-12-1-3-13(4-2-12)17-6-5-14-11-21-15(18-14)19-7-9-20-10-8-19/h1-4,11,17H,5-10H2
InChIKeyNARPENFFCJKZCW-UHFFFAOYSA-N
XLogP2.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline (CID 68803857) is 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline is Fc1ccc(NCCc2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is NARPENFFCJKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c16-12-1-3-13(4-2-12)17-6-5-14-11-21-15(18-14)19-7-9-20-10-8-19/h1-4,11,17H,5-10H2.
What are the key properties of 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline?
4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 307.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 68803857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).