3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C19H22N4S — CID 97224740

IUPAC3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN[C@@H](Cc2ccccc2)c2ccccc2)ns1
InChIInChI=1S/C19H22N4S/c1-23(2)19-21-18(22-24-19)14-20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,17,20H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyWVWPWHYAMOTFRI-KRWDZBQOSA-N
MW338.48 g/mol
LogP3.68
Rot. Bonds7

About 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 97224740) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID97224740
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN[C@@H](Cc2ccccc2)c2ccccc2)ns1
InChIInChI=1S/C19H22N4S/c1-23(2)19-21-18(22-24-19)14-20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,17,20H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyWVWPWHYAMOTFRI-KRWDZBQOSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 97224740) is 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN[C@@H](Cc2ccccc2)c2ccccc2)ns1.
What is the InChIKey of 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WVWPWHYAMOTFRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4S/c1-23(2)19-21-18(22-24-19)14-20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,17,20H,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 338.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97224740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).