2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

C20H15N3OS2 — CID 7810525

IUPAC2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(SC3c4ccccc4-c4ccccc43)o2)cs1
InChIInChI=1S/C20H15N3OS2/c1-12-21-13(11-25-12)10-18-22-23-20(24-18)26-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,11,19H,10H2,1H3
InChIKeyHNQMCVBYAVBYRV-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.29
Rot. Bonds4

About 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 7810525) has the molecular formula C20H15N3OS2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID7810525
Molecular FormulaC20H15N3OS2
Molecular Weight377.49 g/mol
Exact Mass377.07
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(SC3c4ccccc4-c4ccccc43)o2)cs1
InChIInChI=1S/C20H15N3OS2/c1-12-21-13(11-25-12)10-18-22-23-20(24-18)26-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,11,19H,10H2,1H3
InChIKeyHNQMCVBYAVBYRV-UHFFFAOYSA-N
XLogP5.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 7810525) is 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Cc1nc(Cc2nnc(SC3c4ccccc4-c4ccccc43)o2)cs1.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is HNQMCVBYAVBYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS2/c1-12-21-13(11-25-12)10-18-22-23-20(24-18)26-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,11,19H,10H2,1H3.
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 377.49 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7810525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).