N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide

C14H16FN3OS — CID 78825720

IUPACN-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(Cc1csc(NC(C)=O)n1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-3-18(13-6-4-11(15)5-7-13)8-12-9-20-14(17-12)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyOUARFWJJPDRRNG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.27
Rot. Bonds5

About N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78825720) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78825720
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(Cc1csc(NC(C)=O)n1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-3-18(13-6-4-11(15)5-7-13)8-12-9-20-14(17-12)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyOUARFWJJPDRRNG-UHFFFAOYSA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 86788063
N-[4-[[ethyl(piperidin-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 54923162
N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 43304111
7-[(N-ethyl-4-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 141442091
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
CID 63584494
N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 61231729
N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111825584
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 34115692
N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111489947
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide (CID 78825720) is N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(Cc1csc(NC(C)=O)n1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OUARFWJJPDRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-3-18(13-6-4-11(15)5-7-13)8-12-9-20-14(17-12)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78825720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).