2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C16H15FN4OS — CID 51252037

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCc1nnc2ccccn12
InChIInChI=1S/C16H15FN4OS/c17-12-4-6-13(7-5-12)23-11-16(22)18-9-8-15-20-19-14-3-1-2-10-21(14)15/h1-7,10H,8-9,11H2,(H,18,22)
InChIKeyPKCDQOKUOLWWJX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 51252037) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID51252037
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCc1nnc2ccccn12
InChIInChI=1S/C16H15FN4OS/c17-12-4-6-13(7-5-12)23-11-16(22)18-9-8-15-20-19-14-3-1-2-10-21(14)15/h1-7,10H,8-9,11H2,(H,18,22)
InChIKeyPKCDQOKUOLWWJX-UHFFFAOYSA-N
XLogP2.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 42278944
N-(2-phenylsulfanylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7628096
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111229247
N-(2-phenylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4639061
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
3-hydroxy-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 110024419
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 51252037) is 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is O=C(CSc1ccc(F)cc1)NCCc1nnc2ccccn12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is PKCDQOKUOLWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c17-12-4-6-13(7-5-12)23-11-16(22)18-9-8-15-20-19-14-3-1-2-10-21(14)15/h1-7,10H,8-9,11H2,(H,18,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 51252037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).