N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C11H9F2N3OS2 — CID 670655

IUPACN-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1
InChIInChI=1S/C11H9F2N3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyMOMWFYZCFGIGNC-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.86
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 670655) has the molecular formula C11H9F2N3OS2 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID670655
Molecular FormulaC11H9F2N3OS2
Molecular Weight301.34 g/mol
Exact Mass301.02
IUPAC NameN-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1
InChIInChI=1S/C11H9F2N3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyMOMWFYZCFGIGNC-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 670655) is N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is MOMWFYZCFGIGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 301.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 670655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).