5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one

C10H11N3OS — CID 24745723

IUPAC5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one
SMILESCn1sc(NCc2ccccc2)nc1=O
InChIInChI=1S/C10H11N3OS/c1-13-10(14)12-9(15-13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12,14)
InChIKeySBWJZIDQESAGHF-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.45
Rot. Bonds3

About 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one

5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one (PubChem CID 24745723) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one.

Molecular Properties

Compound Name5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one
PubChem CID24745723
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one
SMILESCn1sc(NCc2ccccc2)nc1=O
InChIInChI=1S/C10H11N3OS/c1-13-10(14)12-9(15-13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12,14)
InChIKeySBWJZIDQESAGHF-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one?
The IUPAC name of 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one (CID 24745723) is 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one.
What is the SMILES notation for 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one?
The canonical SMILES for 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one is Cn1sc(NCc2ccccc2)nc1=O.
What is the InChIKey of 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one?
The InChIKey is SBWJZIDQESAGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-13-10(14)12-9(15-13)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12,14).
What are the key properties of 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one?
5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one has a molecular weight of 221.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-2-methyl-1,2,4-thiadiazol-3-one is sourced from PubChem (CID 24745723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).