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

C16H13N5OS3 — CID 2651781

IUPACN-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(SCc3nnc(-c4cccs4)o3)s2)cc1
InChIInChI=1S/C16H13N5OS3/c1-10-4-6-11(7-5-10)17-15-20-21-16(25-15)24-9-13-18-19-14(22-13)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,17,20)
InChIKeyQPGUQAOPUFARKZ-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.99
Rot. Bonds6

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

N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 2651781) has the molecular formula C16H13N5OS3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID2651781
Molecular FormulaC16H13N5OS3
Molecular Weight387.52 g/mol
Exact Mass387.03
IUPAC NameN-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(SCc3nnc(-c4cccs4)o3)s2)cc1
InChIInChI=1S/C16H13N5OS3/c1-10-4-6-11(7-5-10)17-15-20-21-16(25-15)24-9-13-18-19-14(22-13)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,17,20)
InChIKeyQPGUQAOPUFARKZ-UHFFFAOYSA-N
XLogP4.99
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 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 N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 2651781) is N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(SCc3nnc(-c4cccs4)o3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QPGUQAOPUFARKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS3/c1-10-4-6-11(7-5-10)17-15-20-21-16(25-15)24-9-13-18-19-14(22-13)12-3-2-8-23-12/h2-8H,9H2,1H3,(H,17,20).
What are the key properties of N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 387.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2651781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).