N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide

C12H8FN5O2S2 — CID 7520018

IUPACN-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESO=C(CSc1nn2c(=O)cnnc2s1)Nc1cccc(F)c1
InChIInChI=1S/C12H8FN5O2S2/c13-7-2-1-3-8(4-7)15-9(19)6-21-12-17-18-10(20)5-14-16-11(18)22-12/h1-5H,6H2,(H,15,19)
InChIKeyGDNNFGHBKPVJAL-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.42
Rot. Bonds4

About N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide

N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (PubChem CID 7520018) has the molecular formula C12H8FN5O2S2 and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
PubChem CID7520018
Molecular FormulaC12H8FN5O2S2
Molecular Weight337.36 g/mol
Exact Mass337.01
IUPAC NameN-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESO=C(CSc1nn2c(=O)cnnc2s1)Nc1cccc(F)c1
InChIInChI=1S/C12H8FN5O2S2/c13-7-2-1-3-8(4-7)15-9(19)6-21-12-17-18-10(20)5-14-16-11(18)22-12/h1-5H,6H2,(H,15,19)
InChIKeyGDNNFGHBKPVJAL-UHFFFAOYSA-N
XLogP1.42
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chlorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520025
N-(4-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520017
2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7520021
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 7883378
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674543
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 24691872
N-(3-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7965254
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 36540463
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 8674104
N-(3-fluorophenyl)-2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 7118041

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (CID 7520018) is N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide is O=C(CSc1nn2c(=O)cnnc2s1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The InChIKey is GDNNFGHBKPVJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O2S2/c13-7-2-1-3-8(4-7)15-9(19)6-21-12-17-18-10(20)5-14-16-11(18)22-12/h1-5H,6H2,(H,15,19).
What are the key properties of N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide has a molecular weight of 337.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 7520018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).