N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine

C11H13N3OS2 — CID 55246729

IUPACN-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1ccccc1SC
InChIInChI=1S/C11H13N3OS2/c1-12-11-8(13-14-17-11)7-15-9-5-3-4-6-10(9)16-2/h3-6,12H,7H2,1-2H3
InChIKeyUFCQMVMQXFZTHT-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.88
Rot. Bonds5

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

N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 55246729) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine
PubChem CID55246729
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1ccccc1SC
InChIInChI=1S/C11H13N3OS2/c1-12-11-8(13-14-17-11)7-15-9-5-3-4-6-10(9)16-2/h3-6,12H,7H2,1-2H3
InChIKeyUFCQMVMQXFZTHT-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine (CID 55246729) is N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine is CNc1snnc1COc1ccccc1SC.
What is the InChIKey of N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is UFCQMVMQXFZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-12-11-8(13-14-17-11)7-15-9-5-3-4-6-10(9)16-2/h3-6,12H,7H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine?
N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 267.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 55246729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).