N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine

C22H21N3S — CID 563247

IUPACN,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)C1(c2ccccc2)SC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H21N3S/c1-24(2)22(19-14-8-4-9-15-19)25(20-16-10-5-11-17-20)23-21(26-22)18-12-6-3-7-13-18/h3-17H,1-2H3
InChIKeyMUNJFWNEHZHJLS-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.97
Rot. Bonds4

About N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine

N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine (PubChem CID 563247) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine
PubChem CID563247
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC NameN,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)C1(c2ccccc2)SC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H21N3S/c1-24(2)22(19-14-8-4-9-15-19)25(20-16-10-5-11-17-20)23-21(26-22)18-12-6-3-7-13-18/h3-17H,1-2H3
InChIKeyMUNJFWNEHZHJLS-UHFFFAOYSA-N
XLogP4.97
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine (CID 563247) is N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine is CN(C)C1(c2ccccc2)SC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MUNJFWNEHZHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-24(2)22(19-14-8-4-9-15-19)25(20-16-10-5-11-17-20)23-21(26-22)18-12-6-3-7-13-18/h3-17H,1-2H3.
What are the key properties of N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 359.50 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,5-triphenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 563247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).