N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine

C18H20N4O2S — CID 24829296

IUPACN,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine
SMILES[H]/N=c1\snc(Nc2ccc(OCC)cc2)n1-c1ccc(OCC)cc1
InChIInChI=1S/C18H20N4O2S/c1-3-23-15-9-5-13(6-10-15)20-18-21-25-17(19)22(18)14-7-11-16(12-8-14)24-4-2/h5-12,19H,3-4H2,1-2H3,(H,20,21)/b19-17-
InChIKeyWOISKAZMSXCHRK-ZPHPHTNESA-N
MW356.45 g/mol
LogP3.95
Rot. Bonds7

About N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine

N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine (PubChem CID 24829296) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine
PubChem CID24829296
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine
SMILES[H]/N=c1\snc(Nc2ccc(OCC)cc2)n1-c1ccc(OCC)cc1
InChIInChI=1S/C18H20N4O2S/c1-3-23-15-9-5-13(6-10-15)20-18-21-25-17(19)22(18)14-7-11-16(12-8-14)24-4-2/h5-12,19H,3-4H2,1-2H3,(H,20,21)/b19-17-
InChIKeyWOISKAZMSXCHRK-ZPHPHTNESA-N
XLogP3.95
TPSA72.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

Analyze N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-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-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine?
The IUPAC name of N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine (CID 24829296) is N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine is [H]/N=c1\snc(Nc2ccc(OCC)cc2)n1-c1ccc(OCC)cc1.
What is the InChIKey of N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine?
The InChIKey is WOISKAZMSXCHRK-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-23-15-9-5-13(6-10-15)20-18-21-25-17(19)22(18)14-7-11-16(12-8-14)24-4-2/h5-12,19H,3-4H2,1-2H3,(H,20,21)/b19-17-.
What are the key properties of N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine?
N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine has a molecular weight of 356.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-ethoxyphenyl)-5-imino-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 24829296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).