2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine

C15H11Cl2N3S — CID 11393530

IUPAC2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)s1
InChIInChI=1S/C15H11Cl2N3S/c1-18-15-19-14(10-4-2-5-11(16)8-10)20(21-15)13-7-3-6-12(17)9-13/h2-9H,1H3/b18-15+
InChIKeyQFWJLZBDCAQWPG-OBGWFSINSA-N
MW336.25 g/mol
LogP4.44
Rot. Bonds2

About 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine

2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine (PubChem CID 11393530) has the molecular formula C15H11Cl2N3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine
PubChem CID11393530
Molecular FormulaC15H11Cl2N3S
Molecular Weight336.25 g/mol
Exact Mass335.01
IUPAC Name2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)s1
InChIInChI=1S/C15H11Cl2N3S/c1-18-15-19-14(10-4-2-5-11(16)8-10)20(21-15)13-7-3-6-12(17)9-13/h2-9H,1H3/b18-15+
InChIKeyQFWJLZBDCAQWPG-OBGWFSINSA-N
XLogP4.44
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine (CID 11393530) is 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine is C/N=c1\nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine?
The InChIKey is QFWJLZBDCAQWPG-OBGWFSINSA-N. The full InChI is InChI=1S/C15H11Cl2N3S/c1-18-15-19-14(10-4-2-5-11(16)8-10)20(21-15)13-7-3-6-12(17)9-13/h2-9H,1H3/b18-15+.
What are the key properties of 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine?
2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine has a molecular weight of 336.25 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 11393530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).