N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide

C13H14FN3OS — CID 115925911

IUPACN-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)c2cscn2)ccc1F
InChIInChI=1S/C13H14FN3OS/c1-8(13-6-19-7-15-13)16-10-3-4-11(14)12(5-10)17-9(2)18/h3-8,16H,1-2H3,(H,17,18)
InChIKeyUEWRTYPXCCKEHD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.41
Rot. Bonds4

About N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide

N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide (PubChem CID 115925911) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
PubChem CID115925911
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)c2cscn2)ccc1F
InChIInChI=1S/C13H14FN3OS/c1-8(13-6-19-7-15-13)16-10-3-4-11(14)12(5-10)17-9(2)18/h3-8,16H,1-2H3,(H,17,18)
InChIKeyUEWRTYPXCCKEHD-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
N-[2-fluoro-5-[1-(4-hydroxyphenyl)ethylamino]phenyl]acetamide
CID 60927140
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752
N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526
3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
CID 115928538
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 114250121
(2R)-2-(3-acetamido-4-fluoroanilino)-N,N-di(propan-2-yl)propanamide
CID 37310616
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843
5-bromo-2,4-difluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 102852908

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide (CID 115925911) is N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide is CC(=O)Nc1cc(NC(C)c2cscn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
The InChIKey is UEWRTYPXCCKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(13-6-19-7-15-13)16-10-3-4-11(14)12(5-10)17-9(2)18/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide?
N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 115925911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).