2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline

C14H17FN2OS — CID 54883526

IUPAC2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1cnc(CC)s1
InChIInChI=1S/C14H17FN2OS/c1-3-14-17-9-11(19-14)8-16-12-6-5-10(15)7-13(12)18-4-2/h5-7,9,16H,3-4,8H2,1-2H3
InChIKeyJXRKDKFAEXYPQZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.86
Rot. Bonds6

About 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline

2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline (PubChem CID 54883526) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
PubChem CID54883526
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1cnc(CC)s1
InChIInChI=1S/C14H17FN2OS/c1-3-14-17-9-11(19-14)8-16-12-6-5-10(15)7-13(12)18-4-2/h5-7,9,16H,3-4,8H2,1-2H3
InChIKeyJXRKDKFAEXYPQZ-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline (CID 54883526) is 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline is CCOc1cc(F)ccc1NCc1cnc(CC)s1.
What is the InChIKey of 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The InChIKey is JXRKDKFAEXYPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-14-17-9-11(19-14)8-16-12-6-5-10(15)7-13(12)18-4-2/h5-7,9,16H,3-4,8H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline has a molecular weight of 280.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 54883526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).