2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide

C18H14FN5OS2 — CID 3223790

IUPAC2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1cccnc1
InChIInChI=1S/C18H14FN5OS2/c19-14-5-3-13(4-6-14)15-10-26-17-22-23-18(24(15)17)27-11-16(25)21-9-12-2-1-7-20-8-12/h1-8,10H,9,11H2,(H,21,25)
InChIKeyCNSQKGFPKWJOTQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.40
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide

2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 3223790) has the molecular formula C18H14FN5OS2 and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID3223790
Molecular FormulaC18H14FN5OS2
Molecular Weight399.48 g/mol
Exact Mass399.06
IUPAC Name2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1cccnc1
InChIInChI=1S/C18H14FN5OS2/c19-14-5-3-13(4-6-14)15-10-26-17-22-23-18(24(15)17)27-11-16(25)21-9-12-2-1-7-20-8-12/h1-8,10H,9,11H2,(H,21,25)
InChIKeyCNSQKGFPKWJOTQ-UHFFFAOYSA-N
XLogP3.40
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 649740
N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3223778
N-[(4-fluorophenyl)methyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 25238982
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 16899145
N-(4-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1179264
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
N-(oxolan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 2939254
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 4256680
N-benzyl-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2575279
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 134793631
N-(4-methoxyphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1179263

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide (CID 3223790) is 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1cccnc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CNSQKGFPKWJOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS2/c19-14-5-3-13(4-6-14)15-10-26-17-22-23-18(24(15)17)27-11-16(25)21-9-12-2-1-7-20-8-12/h1-8,10H,9,11H2,(H,21,25).
What are the key properties of 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 399.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 3223790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).