2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline

C15H21N3S — CID 23462174

IUPAC2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCc1nnc(CNc2c(CC)cccc2CC)s1
InChIInChI=1S/C15H21N3S/c1-4-11-8-7-9-12(5-2)15(11)16-10-14-18-17-13(6-3)19-14/h7-9,16H,4-6,10H2,1-3H3
InChIKeyUBRFSNDWMMAEIJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.84
Rot. Bonds6

About 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline

2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline (PubChem CID 23462174) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline
PubChem CID23462174
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCc1nnc(CNc2c(CC)cccc2CC)s1
InChIInChI=1S/C15H21N3S/c1-4-11-8-7-9-12(5-2)15(11)16-10-14-18-17-13(6-3)19-14/h7-9,16H,4-6,10H2,1-3H3
InChIKeyUBRFSNDWMMAEIJ-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The IUPAC name of 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline (CID 23462174) is 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline is CCc1nnc(CNc2c(CC)cccc2CC)s1.
What is the InChIKey of 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The InChIKey is UBRFSNDWMMAEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-11-8-7-9-12(5-2)15(11)16-10-14-18-17-13(6-3)19-14/h7-9,16H,4-6,10H2,1-3H3.
What are the key properties of 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline has a molecular weight of 275.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 23462174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).