2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

C17H13FN4O2S2 — CID 135930562

IUPAC2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1
InChIInChI=1S/C17H13FN4O2S2/c18-11-3-5-13(6-4-11)23-8-15-20-12(9-25-15)10-26-17-22-21-16(24-17)14-2-1-7-19-14/h1-7,9,19H,8,10H2
InChIKeyGVSGFUUSDREMNE-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.53
Rot. Bonds7

About 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole (PubChem CID 135930562) has the molecular formula C17H13FN4O2S2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
PubChem CID135930562
Molecular FormulaC17H13FN4O2S2
Molecular Weight388.45 g/mol
Exact Mass388.05
IUPAC Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1
InChIInChI=1S/C17H13FN4O2S2/c18-11-3-5-13(6-4-11)23-8-15-20-12(9-25-15)10-26-17-22-21-16(24-17)14-2-1-7-19-14/h1-7,9,19H,8,10H2
InChIKeyGVSGFUUSDREMNE-UHFFFAOYSA-N
XLogP4.53
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole (CID 135930562) is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole is Fc1ccc(OCc2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The InChIKey is GVSGFUUSDREMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S2/c18-11-3-5-13(6-4-11)23-8-15-20-12(9-25-15)10-26-17-22-21-16(24-17)14-2-1-7-19-14/h1-7,9,19H,8,10H2.
What are the key properties of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole has a molecular weight of 388.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135930562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).