N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine

C9H9N3S — CID 13131306

IUPACN-methyl-5-phenyl-1,2,4-thiadiazol-3-amine
SMILESCNc1nsc(-c2ccccc2)n1
InChIInChI=1S/C9H9N3S/c1-10-9-11-8(13-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyKFFQXINBZOKVPH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.25
Rot. Bonds2

About N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine

N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine (PubChem CID 13131306) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-1,2,4-thiadiazol-3-amine
PubChem CID13131306
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC NameN-methyl-5-phenyl-1,2,4-thiadiazol-3-amine
SMILESCNc1nsc(-c2ccccc2)n1
InChIInChI=1S/C9H9N3S/c1-10-9-11-8(13-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyKFFQXINBZOKVPH-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine (CID 13131306) is N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine is CNc1nsc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine?
The InChIKey is KFFQXINBZOKVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-10-9-11-8(13-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12).
What are the key properties of N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine?
N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine has a molecular weight of 191.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 13131306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).