N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C15H13FN4O2S2 — CID 20961812

IUPACN-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3F)nc2s1
InChIInChI=1S/C15H13FN4O2S2/c1-9-19-20-14(22)6-10(17-15(20)24-9)7-23-8-13(21)18-12-5-3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,18,21)
InChIKeyJMHBKMPCSOECDL-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.47
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961812) has the molecular formula C15H13FN4O2S2 and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID20961812
Molecular FormulaC15H13FN4O2S2
Molecular Weight364.43 g/mol
Exact Mass364.05
IUPAC NameN-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3F)nc2s1
InChIInChI=1S/C15H13FN4O2S2/c1-9-19-20-14(22)6-10(17-15(20)24-9)7-23-8-13(21)18-12-5-3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,18,21)
InChIKeyJMHBKMPCSOECDL-UHFFFAOYSA-N
XLogP2.47
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961812) is N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is Cc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3F)nc2s1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is JMHBKMPCSOECDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S2/c1-9-19-20-14(22)6-10(17-15(20)24-9)7-23-8-13(21)18-12-5-3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,18,21).
What are the key properties of N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).