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

C14H16FN3OS — CID 68500319

IUPAC4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H16FN3OS/c15-11-1-3-12(4-2-11)16-9-13-10-20-14(17-13)18-5-7-19-8-6-18/h1-4,10,16H,5-9H2
InChIKeyWRZWESUVPIKESY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.73
Rot. Bonds4

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

4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 68500319) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID68500319
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H16FN3OS/c15-11-1-3-12(4-2-11)16-9-13-10-20-14(17-13)18-5-7-19-8-6-18/h1-4,10,16H,5-9H2
InChIKeyWRZWESUVPIKESY-UHFFFAOYSA-N
XLogP2.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.73
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-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline (CID 68500319) is 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline is Fc1ccc(NCc2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is WRZWESUVPIKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-11-1-3-12(4-2-11)16-9-13-10-20-14(17-13)18-5-7-19-8-6-18/h1-4,10,16H,5-9H2.
What are the key properties of 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline?
4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 68500319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).