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

C16H14FN3OS2 — CID 86789142

IUPAC2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCc1cscn1
InChIInChI=1S/C16H14FN3OS2/c17-12-3-1-11(2-4-12)14-9-23-16(20-14)7-15(21)18-6-5-13-8-22-10-19-13/h1-4,8-10H,5-7H2,(H,18,21)
InChIKeySENBPLNKPOEFPH-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.31
Rot. Bonds6

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

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 86789142) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID86789142
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCc1cscn1
InChIInChI=1S/C16H14FN3OS2/c17-12-3-1-11(2-4-12)14-9-23-16(20-14)7-15(21)18-6-5-13-8-22-10-19-13/h1-4,8-10H,5-7H2,(H,18,21)
InChIKeySENBPLNKPOEFPH-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644
N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631830
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 86789142) is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCc1cscn1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is SENBPLNKPOEFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-12-3-1-11(2-4-12)14-9-23-16(20-14)7-15(21)18-6-5-13-8-22-10-19-13/h1-4,8-10H,5-7H2,(H,18,21).
What are the key properties of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 86789142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).