2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline

C12H13FN2OS — CID 63657227

IUPAC2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCCOc1cc(F)ccc1NCc1nccs1
InChIInChI=1S/C12H13FN2OS/c1-2-16-11-7-9(13)3-4-10(11)15-8-12-14-5-6-17-12/h3-7,15H,2,8H2,1H3
InChIKeyGWWUZVUANAPRKG-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.29
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline

2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 63657227) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID63657227
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCCOc1cc(F)ccc1NCc1nccs1
InChIInChI=1S/C12H13FN2OS/c1-2-16-11-7-9(13)3-4-10(11)15-8-12-14-5-6-17-12/h3-7,15H,2,8H2,1H3
InChIKeyGWWUZVUANAPRKG-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline (CID 63657227) is 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline is CCOc1cc(F)ccc1NCc1nccs1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is GWWUZVUANAPRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-16-11-7-9(13)3-4-10(11)15-8-12-14-5-6-17-12/h3-7,15H,2,8H2,1H3.
What are the key properties of 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 252.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 63657227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).