3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine

C9H8Cl2N4OS — CID 56693554

IUPAC3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
SMILESCNC1=NS(=O)N=C1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4OS/c1-12-8-9(15-17(16)14-8)13-5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyISHYYDQPXMJVEH-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.01
Rot. Bonds1

About 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine

3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine (PubChem CID 56693554) has the molecular formula C9H8Cl2N4OS and a molecular weight of 291.16 g/mol. Its IUPAC name is 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
PubChem CID56693554
Molecular FormulaC9H8Cl2N4OS
Molecular Weight291.16 g/mol
Exact Mass289.98
IUPAC Name3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
SMILESCNC1=NS(=O)N=C1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4OS/c1-12-8-9(15-17(16)14-8)13-5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyISHYYDQPXMJVEH-UHFFFAOYSA-N
XLogP2.01
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-3-N-(3,4-dichlorophenyl)-1-oxo-1,2,5-thiadiazole-3,4-diamine
CID 134114011
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CID 153392117
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
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3-N-(3,4-dichlorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
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(3,4-dichlorophenyl)hydrazine;ethane
CID 143531721
3,4-dichloro-N-methylaniline;N-phenylformamide
CID 178016715
3,4-dichloro-N-iodoaniline
CID 134221439
2-chloro-N-(3,4-dichlorophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 152652659
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine?
The IUPAC name of 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine (CID 56693554) is 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine.
What is the SMILES notation for 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine?
The canonical SMILES for 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine is CNC1=NS(=O)N=C1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine?
The InChIKey is ISHYYDQPXMJVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4OS/c1-12-8-9(15-17(16)14-8)13-5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,14)(H,13,15).
What are the key properties of 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine?
3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine has a molecular weight of 291.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine is sourced from PubChem (CID 56693554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).