5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine

C17H11ClFN5OS2 — CID 41449493

IUPAC5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Nc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)s1
InChIInChI=1S/C17H11ClFN5OS2/c18-11-7-5-10(6-8-11)15-22-21-14(25-15)9-26-17-24-23-16(27-17)20-13-4-2-1-3-12(13)19/h1-8H,9H2,(H,20,23)
InChIKeyYWJCECRPMFBWOP-UHFFFAOYSA-N
MW419.89 g/mol
LogP5.42
Rot. Bonds6

About 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 41449493) has the molecular formula C17H11ClFN5OS2 and a molecular weight of 419.89 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID41449493
Molecular FormulaC17H11ClFN5OS2
Molecular Weight419.89 g/mol
Exact Mass419.01
IUPAC Name5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Nc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)s1
InChIInChI=1S/C17H11ClFN5OS2/c18-11-7-5-10(6-8-11)15-22-21-14(25-15)9-26-17-24-23-16(27-17)20-13-4-2-1-3-12(13)19/h1-8H,9H2,(H,20,23)
InChIKeyYWJCECRPMFBWOP-UHFFFAOYSA-N
XLogP5.42
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 2966728
5-(4-chlorophenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 4800452
1-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 2101505
5-(4-chlorophenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118611393
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
CID 24178367
[3-[5-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]thiourea
CID 57392093
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
CID 133936617
1-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylthiourea
CID 139228118
5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-N,4-diphenyl-1,3,4-thiadiazole-2-carboxamide
CID 139228138
2-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-3-phenyl-1,3-thiazolidin-4-one
CID 139228144
N-(4-methoxybenzyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
CID 50832790
5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 155807077

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 41449493) is 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccccc1Nc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)s1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YWJCECRPMFBWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5OS2/c18-11-7-5-10(6-8-11)15-22-21-14(25-15)9-26-17-24-23-16(27-17)20-13-4-2-1-3-12(13)19/h1-8H,9H2,(H,20,23).
What are the key properties of 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 419.89 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 41449493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).