N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

C17H17N3OS — CID 133317329

IUPACN-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCOc1cccc(CNc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C17H17N3OS/c1-2-21-15-10-6-7-13(11-15)12-18-17-19-16(20-22-17)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3,(H,18,19,20)
InChIKeyVZNVQLSUVGXYHY-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.22
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133317329) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133317329
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCOc1cccc(CNc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C17H17N3OS/c1-2-21-15-10-6-7-13(11-15)12-18-17-19-16(20-22-17)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3,(H,18,19,20)
InChIKeyVZNVQLSUVGXYHY-UHFFFAOYSA-N
XLogP4.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133316558
3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile
CID 133407141
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133318374
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133411419
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133484583
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
CID 80647155
N-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133319644
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133317329) is N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is CCOc1cccc(CNc2nc(-c3ccccc3)ns2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VZNVQLSUVGXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-21-15-10-6-7-13(11-15)12-18-17-19-16(20-22-17)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3,(H,18,19,20).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 311.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133317329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).