5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione

C14H7F3N4OS3 — CID 139220948

IUPAC5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESNc1c(-c2n[nH]c(=S)o2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H7F3N4OS3/c15-14(16,17)5-4-6(7-2-1-3-24-7)19-12-8(5)9(18)10(25-12)11-20-21-13(23)22-11/h1-4H,18H2,(H,21,23)
InChIKeyMNWZMZZCIIDORY-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.34
Rot. Bonds2

About 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione

5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 139220948) has the molecular formula C14H7F3N4OS3 and a molecular weight of 400.43 g/mol. Its IUPAC name is 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID139220948
Molecular FormulaC14H7F3N4OS3
Molecular Weight400.43 g/mol
Exact Mass399.97
IUPAC Name5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESNc1c(-c2n[nH]c(=S)o2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H7F3N4OS3/c15-14(16,17)5-4-6(7-2-1-3-24-7)19-12-8(5)9(18)10(25-12)11-20-21-13(23)22-11/h1-4H,18H2,(H,21,23)
InChIKeyMNWZMZZCIIDORY-UHFFFAOYSA-N
XLogP5.34
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione with MolForge

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Related Compounds

6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2,3-diamine
CID 143534703
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 629766
2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 92905376
4-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 54579808
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2254947
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1022441
6-hydroxy-11-thiophen-2-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 54679258
3-methyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine
CID 4305965
5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432787
2-(4-fluorophenoxy)ethyl 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2408526
4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 8006551

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione (CID 139220948) is 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione is Nc1c(-c2n[nH]c(=S)o2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is MNWZMZZCIIDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4OS3/c15-14(16,17)5-4-6(7-2-1-3-24-7)19-12-8(5)9(18)10(25-12)11-20-21-13(23)22-11/h1-4H,18H2,(H,21,23).
What are the key properties of 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 400.43 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 139220948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).