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

C11H9ClFN3OS2 — CID 599467

IUPACN-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H9ClFN3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,17)
InChIKeySCHKKNFPRKWOJM-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.37
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 599467) has the molecular formula C11H9ClFN3OS2 and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID599467
Molecular FormulaC11H9ClFN3OS2
Molecular Weight317.80 g/mol
Exact Mass316.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H9ClFN3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,17)
InChIKeySCHKKNFPRKWOJM-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 599467) is N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SCHKKNFPRKWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 317.80 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).