N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine

C9H7Cl2N3O2S — CID 134111299

IUPACN-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2N3O2S/c1-16-9-8(13-17(15)14-9)12-7-3-5(10)2-6(11)4-7/h2-4H,1H3,(H,12,13)
InChIKeyPYGIIVDFRUHXLL-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.44
Rot. Bonds1

About N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine

N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine (PubChem CID 134111299) has the molecular formula C9H7Cl2N3O2S and a molecular weight of 292.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
PubChem CID134111299
Molecular FormulaC9H7Cl2N3O2S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC NameN-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2N3O2S/c1-16-9-8(13-17(15)14-9)12-7-3-5(10)2-6(11)4-7/h2-4H,1H3,(H,12,13)
InChIKeyPYGIIVDFRUHXLL-UHFFFAOYSA-N
XLogP2.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine (CID 134111299) is N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine is COC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The InChIKey is PYGIIVDFRUHXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2S/c1-16-9-8(13-17(15)14-9)12-7-3-5(10)2-6(11)4-7/h2-4H,1H3,(H,12,13).
What are the key properties of N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine has a molecular weight of 292.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 134111299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).