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

C14H19N3S — CID 23462216

IUPAC2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
SMILESCCc1nnc(CNc2c(C)cccc2CC)s1
InChIInChI=1S/C14H19N3S/c1-4-11-8-6-7-10(3)14(11)15-9-13-17-16-12(5-2)18-13/h6-8,15H,4-5,9H2,1-3H3
InChIKeyCGNDGKGGXGGBBF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.58
Rot. Bonds5

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

2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline (PubChem CID 23462216) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
PubChem CID23462216
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline
SMILESCCc1nnc(CNc2c(C)cccc2CC)s1
InChIInChI=1S/C14H19N3S/c1-4-11-8-6-7-10(3)14(11)15-9-13-17-16-12(5-2)18-13/h6-8,15H,4-5,9H2,1-3H3
InChIKeyCGNDGKGGXGGBBF-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
The IUPAC name of 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline (CID 23462216) is 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline.
What is the SMILES notation for 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
The canonical SMILES for 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline is CCc1nnc(CNc2c(C)cccc2CC)s1.
What is the InChIKey of 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
The InChIKey is CGNDGKGGXGGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-11-8-6-7-10(3)14(11)15-9-13-17-16-12(5-2)18-13/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline?
2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline has a molecular weight of 261.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-6-methylaniline is sourced from PubChem (CID 23462216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).