5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C19H22N4S — CID 133451334

IUPAC5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1cccc(CN(C)c2nnc(Cc3ccccc3)s2)c1
InChIInChI=1S/C19H22N4S/c1-22(2)17-11-7-10-16(12-17)14-23(3)19-21-20-18(24-19)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3
InChIKeyFGGKQBHWSHRCRC-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.83
Rot. Bonds6

About 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133451334) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133451334
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1cccc(CN(C)c2nnc(Cc3ccccc3)s2)c1
InChIInChI=1S/C19H22N4S/c1-22(2)17-11-7-10-16(12-17)14-23(3)19-21-20-18(24-19)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3
InChIKeyFGGKQBHWSHRCRC-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 647694
2-[4-(3-Methylphenyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 748110
1-[5-(2-Methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylhydrazine
CID 13684034
1-[5-(3-Aminophenyl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 177643053
N-Phenyl-N'-[4-[ethylamino-1,3,4-thiadiazole-5-yl]phenyl]thiourea
CID 3002889
5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 692326
1-Phenyl-3-[4-[5-(propylamino)-1,3,4-thiadiazol-2-yl]phenyl]thiourea
CID 5270695
5-[(4-methylanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 11380926
(E)-5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine
CID 15544761
2-[5-(2,5-Difluorophenyl)-2-methyl-2-phenylthiadiazol-2-ium-3-yl]-5-methyl-1,3,4-thiadiazole
CID 69255490
5-methyl-1-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridin-2-imine
CID 73197957
3-[2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]aniline
CID 90269273

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 133451334) is 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CN(C)c1cccc(CN(C)c2nnc(Cc3ccccc3)s2)c1.
What is the InChIKey of 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FGGKQBHWSHRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-22(2)17-11-7-10-16(12-17)14-23(3)19-21-20-18(24-19)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3.
What are the key properties of 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 338.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133451334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).