N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C17H16N8S — CID 133412509

IUPACN-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESc1ccc(-c2nsc(NCCNc3nnnn3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N8S/c1-3-7-13(8-4-1)15-20-17(26-22-15)19-12-11-18-16-21-23-24-25(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21,24)(H,19,20,22)
InChIKeyXEWZYEFNPAMKRQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.70
Rot. Bonds7

About N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 133412509) has the molecular formula C17H16N8S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID133412509
Molecular FormulaC17H16N8S
Molecular Weight364.44 g/mol
Exact Mass364.12
IUPAC NameN-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESc1ccc(-c2nsc(NCCNc3nnnn3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N8S/c1-3-7-13(8-4-1)15-20-17(26-22-15)19-12-11-18-16-21-23-24-25(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21,24)(H,19,20,22)
InChIKeyXEWZYEFNPAMKRQ-UHFFFAOYSA-N
XLogP2.70
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
CID 133412520
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
CID 133412546
1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
CID 78896414
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 9339433

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 133412509) is N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is c1ccc(-c2nsc(NCCNc3nnnn3-c3ccccc3)n2)cc1.
What is the InChIKey of N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is XEWZYEFNPAMKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8S/c1-3-7-13(8-4-1)15-20-17(26-22-15)19-12-11-18-16-21-23-24-25(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21,24)(H,19,20,22).
What are the key properties of N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 364.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 133412509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).