4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine

C10H10ClN3OS — CID 62193700

IUPAC4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccccc1Cl
InChIInChI=1S/C10H10ClN3OS/c1-12-10-8(13-14-16-10)6-15-9-5-3-2-4-7(9)11/h2-5,12H,6H2,1H3
InChIKeyPNIMWJUTTIPOLD-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.81
Rot. Bonds4

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

4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62193700) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine
PubChem CID62193700
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccccc1Cl
InChIInChI=1S/C10H10ClN3OS/c1-12-10-8(13-14-16-10)6-15-9-5-3-2-4-7(9)11/h2-5,12H,6H2,1H3
InChIKeyPNIMWJUTTIPOLD-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.81
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]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine (CID 62193700) is 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is PNIMWJUTTIPOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-12-10-8(13-14-16-10)6-15-9-5-3-2-4-7(9)11/h2-5,12H,6H2,1H3.
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine?
4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 255.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62193700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).