N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine

C15H22N4S — CID 65268088

IUPACN,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNc1nc(C)ns1)c1ccccc1
InChIInChI=1S/C15H22N4S/c1-4-19(5-2)14(13-9-7-6-8-10-13)11-16-15-17-12(3)18-20-15/h6-10,14H,4-5,11H2,1-3H3,(H,16,17,18)
InChIKeyLUDKBPJLZGJFCZ-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.34
Rot. Bonds7

About N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine

N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine (PubChem CID 65268088) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
PubChem CID65268088
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNc1nc(C)ns1)c1ccccc1
InChIInChI=1S/C15H22N4S/c1-4-19(5-2)14(13-9-7-6-8-10-13)11-16-15-17-12(3)18-20-15/h6-10,14H,4-5,11H2,1-3H3,(H,16,17,18)
InChIKeyLUDKBPJLZGJFCZ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine (CID 65268088) is N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine is CCN(CC)C(CNc1nc(C)ns1)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine?
The InChIKey is LUDKBPJLZGJFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-19(5-2)14(13-9-7-6-8-10-13)11-16-15-17-12(3)18-20-15/h6-10,14H,4-5,11H2,1-3H3,(H,16,17,18).
What are the key properties of N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 65268088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).