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

C15H19FN2OS — CID 63752757

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H19FN2OS/c1-5-19-14-8-12(16)6-7-13(14)18-10(3)15-9(2)17-11(4)20-15/h6-8,10,18H,5H2,1-4H3
InChIKeyVIWQESLYXHUZAE-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.47
Rot. Bonds5

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline (PubChem CID 63752757) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline
PubChem CID63752757
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H19FN2OS/c1-5-19-14-8-12(16)6-7-13(14)18-10(3)15-9(2)17-11(4)20-15/h6-8,10,18H,5H2,1-4H3
InChIKeyVIWQESLYXHUZAE-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline (CID 63752757) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline?
The InChIKey is VIWQESLYXHUZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-5-19-14-8-12(16)6-7-13(14)18-10(3)15-9(2)17-11(4)20-15/h6-8,10,18H,5H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline has a molecular weight of 294.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 63752757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).