4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine

C9H8ClN3OS — CID 62193343

IUPAC4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccccc1Cl
InChIInChI=1S/C9H8ClN3OS/c10-6-3-1-2-4-8(6)14-5-7-9(11)15-13-12-7/h1-4H,5,11H2
InChIKeyYOTHGIYUOWKGAW-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.35
Rot. Bonds3

About 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine

4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193343) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine
PubChem CID62193343
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccccc1Cl
InChIInChI=1S/C9H8ClN3OS/c10-6-3-1-2-4-8(6)14-5-7-9(11)15-13-12-7/h1-4H,5,11H2
InChIKeyYOTHGIYUOWKGAW-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine (CID 62193343) is 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is YOTHGIYUOWKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-6-3-1-2-4-8(6)14-5-7-9(11)15-13-12-7/h1-4H,5,11H2.
What are the key properties of 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine?
4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 241.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).