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

C12H15N3S — CID 71350016

IUPACN,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C12H15N3S/c1-3-15(4-2)12-13-11(14-16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyPBEXQMGQLLHBLH-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.05
Rot. Bonds4

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

N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 71350016) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID71350016
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C12H15N3S/c1-3-15(4-2)12-13-11(14-16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyPBEXQMGQLLHBLH-UHFFFAOYSA-N
XLogP3.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine (CID 71350016) is N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine is CCN(CC)c1nc(-c2ccccc2)ns1.
What is the InChIKey of N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PBEXQMGQLLHBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-15(4-2)12-13-11(14-16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 233.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71350016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).