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

C17H15FN4OS2 — CID 7378214

IUPACN-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3F)s2)c1
InChIInChI=1S/C17H15FN4OS2/c1-11-5-4-6-12(9-11)19-16-21-22-17(25-16)24-10-15(23)20-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,21)(H,20,23)
InChIKeyGRFUZYSQTHMVRF-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.46
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7378214) has the molecular formula C17H15FN4OS2 and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7378214
Molecular FormulaC17H15FN4OS2
Molecular Weight374.47 g/mol
Exact Mass374.07
IUPAC NameN-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3F)s2)c1
InChIInChI=1S/C17H15FN4OS2/c1-11-5-4-6-12(9-11)19-16-21-22-17(25-16)24-10-15(23)20-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,21)(H,20,23)
InChIKeyGRFUZYSQTHMVRF-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7378214) is N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3F)s2)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GRFUZYSQTHMVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS2/c1-11-5-4-6-12(9-11)19-16-21-22-17(25-16)24-10-15(23)20-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7378214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).