N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine

C9H8ClN3O3S — CID 134114037

IUPACN-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)(=O)N=C1Nc1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3O3S/c1-16-9-8(12-17(14,15)13-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12)
InChIKeyUHSBJTQBKIKCJH-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.45
Rot. Bonds1

About N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine

N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine (PubChem CID 134114037) has the molecular formula C9H8ClN3O3S and a molecular weight of 273.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
PubChem CID134114037
Molecular FormulaC9H8ClN3O3S
Molecular Weight273.70 g/mol
Exact Mass273.00
IUPAC NameN-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)(=O)N=C1Nc1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3O3S/c1-16-9-8(12-17(14,15)13-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12)
InChIKeyUHSBJTQBKIKCJH-UHFFFAOYSA-N
XLogP1.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-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-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 754914
N-(4-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
CID 134114014
N-(3-fluorophenyl)-4-methoxy-1,2,5-thiadiazol-3-amine 1-oxide
CID 171984815
3-(2-Chlorophenyl)-4-imino-1,2lambda~4~,3-oxathiazolidin-2-one
CID 12379257
3-(4-Chlorophenyl)-4-imino-1,2lambda~4~,3-oxathiazolidin-2-one
CID 12379259
3-(4-Chlorophenyl)-4-imino-5-methyl-1,2lambda~4~,3-oxathiazolidin-2-one
CID 12379261
3-(4-Chlorophenyl)-4-imino-5,5-dimethyl-1,2lambda~4~,3-oxathiazolidin-2-one
CID 12379263
124-Benzthiadiazne-1-O2-3-meome-6-CL
CID 23274426
N-(3-chlorophenyl)-4-methoxy-1,2,5-thiadiazol-3-amine 1-oxide
CID 56689243
N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
CID 134101605
N-(3,5-dichlorophenyl)-N-(4-methoxy-1-oxido-1,2,5-thiadiazol-3-yl)amine
CID 134111299
N-(3-chloro-4-methylphenyl)-N-(4-methoxy-1-oxido-1,2,5-thiadiazol-3-yl)amine
CID 134114018

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine (CID 134114037) is N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine is COC1=NS(=O)(=O)N=C1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
The InChIKey is UHSBJTQBKIKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3S/c1-16-9-8(12-17(14,15)13-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12).
What are the key properties of N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine has a molecular weight of 273.70 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 134114037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).