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

C13H15FN2OS — CID 54868511

IUPAC2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1cnc(C)s1
InChIInChI=1S/C13H15FN2OS/c1-3-17-13-6-10(14)4-5-12(13)16-8-11-7-15-9(2)18-11/h4-7,16H,3,8H2,1-2H3
InChIKeyORFUYYHWTLEKKU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.60
Rot. Bonds5

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

2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 54868511) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID54868511
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1cnc(C)s1
InChIInChI=1S/C13H15FN2OS/c1-3-17-13-6-10(14)4-5-12(13)16-8-11-7-15-9(2)18-11/h4-7,16H,3,8H2,1-2H3
InChIKeyORFUYYHWTLEKKU-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1484583
N-{2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1490230
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 56810315
1-[2-(2-Fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71990395
N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 75439495
2-(1,3-Thiazol-2-yloxy)aniline
CID 43364000
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride
CID 56810314
1-[2-(2,2-Difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71849483
2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 71849577
2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 71968059
2-(2,2-difluoroethoxy)-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 84596111
2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 86804525

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 54868511) is 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is CCOc1cc(F)ccc1NCc1cnc(C)s1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is ORFUYYHWTLEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-3-17-13-6-10(14)4-5-12(13)16-8-11-7-15-9(2)18-11/h4-7,16H,3,8H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 266.34 g/mol, XLogP of 3.60, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 54868511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).