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

C10H10ClN3O2S — CID 134114018

IUPACN-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)N=C1Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-6-3-4-7(5-8(6)11)12-9-10(16-2)14-17(15)13-9/h3-5H,1-2H3,(H,12,13)
InChIKeyHYAHMQGGUWWQSY-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.10
Rot. Bonds1

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

N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine (PubChem CID 134114018) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
PubChem CID134114018
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC NameN-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)N=C1Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-6-3-4-7(5-8(6)11)12-9-10(16-2)14-17(15)13-9/h3-5H,1-2H3,(H,12,13)
InChIKeyHYAHMQGGUWWQSY-UHFFFAOYSA-N
XLogP2.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine (CID 134114018) is N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine is COC1=NS(=O)N=C1Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
The InChIKey is HYAHMQGGUWWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-6-3-4-7(5-8(6)11)12-9-10(16-2)14-17(15)13-9/h3-5H,1-2H3,(H,12,13).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine?
N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine has a molecular weight of 271.73 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 134114018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).