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

C15H22N4S — CID 133318630

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)Cc1cccc(CNc2nc(C)ns2)c1
InChIInChI=1S/C15H22N4S/c1-4-19(5-2)11-14-8-6-7-13(9-14)10-16-15-17-12(3)18-20-15/h6-9H,4-5,10-11H2,1-3H3,(H,16,17,18)
InChIKeySHTAVOCRCOUJLN-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.30
Rot. Bonds7

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

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133318630) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133318630
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCN(CC)Cc1cccc(CNc2nc(C)ns2)c1
InChIInChI=1S/C15H22N4S/c1-4-19(5-2)11-14-8-6-7-13(9-14)10-16-15-17-12(3)18-20-15/h6-9H,4-5,10-11H2,1-3H3,(H,16,17,18)
InChIKeySHTAVOCRCOUJLN-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133318630) is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is CCN(CC)Cc1cccc(CNc2nc(C)ns2)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SHTAVOCRCOUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-19(5-2)11-14-8-6-7-13(9-14)10-16-15-17-12(3)18-20-15/h6-9H,4-5,10-11H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 290.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133318630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).