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

C15H21N3S — CID 23462266

IUPAC2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCCc1nnc(CNc2c(C)cccc2CC)s1
InChIInChI=1S/C15H21N3S/c1-4-7-13-17-18-14(19-13)10-16-15-11(3)8-6-9-12(15)5-2/h6,8-9,16H,4-5,7,10H2,1-3H3
InChIKeyWOLWOIIXGFONJX-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.97
Rot. Bonds6

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

2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline (PubChem CID 23462266) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline
PubChem CID23462266
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCCc1nnc(CNc2c(C)cccc2CC)s1
InChIInChI=1S/C15H21N3S/c1-4-7-13-17-18-14(19-13)10-16-15-11(3)8-6-9-12(15)5-2/h6,8-9,16H,4-5,7,10H2,1-3H3
InChIKeyWOLWOIIXGFONJX-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline (CID 23462266) is 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline is CCCc1nnc(CNc2c(C)cccc2CC)s1.
What is the InChIKey of 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The InChIKey is WOLWOIIXGFONJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-7-13-17-18-14(19-13)10-16-15-11(3)8-6-9-12(15)5-2/h6,8-9,16H,4-5,7,10H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline has a molecular weight of 275.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(5-propyl-1,3,4-thiadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 23462266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).