N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine

C11H13N3S — CID 134909856

IUPACN-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine
SMILESCNc1nsc(CCc2ccccc2)n1
InChIInChI=1S/C11H13N3S/c1-12-11-13-10(15-14-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
InChIKeyBGTFAIVCRZOKEC-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine

N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 134909856) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine
PubChem CID134909856
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine
SMILESCNc1nsc(CCc2ccccc2)n1
InChIInChI=1S/C11H13N3S/c1-12-11-13-10(15-14-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
InChIKeyBGTFAIVCRZOKEC-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine (CID 134909856) is N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine is CNc1nsc(CCc2ccccc2)n1.
What is the InChIKey of N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is BGTFAIVCRZOKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-12-11-13-10(15-14-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14).
What are the key properties of N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine?
N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 219.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-phenylethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 134909856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).