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

C15H21N3S — CID 23462276

IUPAC2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline
SMILESCCc1cccc(C(C)C)c1NCc1nnc(C)s1
InChIInChI=1S/C15H21N3S/c1-5-12-7-6-8-13(10(2)3)15(12)16-9-14-18-17-11(4)19-14/h6-8,10,16H,5,9H2,1-4H3
InChIKeyWPHBAXXSCUCPIM-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.14
Rot. Bonds5

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

2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline (PubChem CID 23462276) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline
PubChem CID23462276
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline
SMILESCCc1cccc(C(C)C)c1NCc1nnc(C)s1
InChIInChI=1S/C15H21N3S/c1-5-12-7-6-8-13(10(2)3)15(12)16-9-14-18-17-11(4)19-14/h6-8,10,16H,5,9H2,1-4H3
InChIKeyWPHBAXXSCUCPIM-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.14
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-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline?
The IUPAC name of 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline (CID 23462276) is 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline.
What is the SMILES notation for 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline?
The canonical SMILES for 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline is CCc1cccc(C(C)C)c1NCc1nnc(C)s1.
What is the InChIKey of 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline?
The InChIKey is WPHBAXXSCUCPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-12-7-6-8-13(10(2)3)15(12)16-9-14-18-17-11(4)19-14/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline?
2-ethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline has a molecular weight of 275.42 g/mol, XLogP of 4.14, 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-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-propan-2-ylaniline is sourced from PubChem (CID 23462276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).