4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

C15H20N2OS — CID 54865366

IUPAC4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCCOc1ccc(NC(C)c2csc(C)n2)c(C)c1
InChIInChI=1S/C15H20N2OS/c1-5-18-13-6-7-14(10(2)8-13)16-11(3)15-9-19-12(4)17-15/h6-9,11,16H,5H2,1-4H3
InChIKeyPONFJRCNMHNVKJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.33
Rot. Bonds5

About 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 54865366) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID54865366
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCCOc1ccc(NC(C)c2csc(C)n2)c(C)c1
InChIInChI=1S/C15H20N2OS/c1-5-18-13-6-7-14(10(2)8-13)16-11(3)15-9-19-12(4)17-15/h6-9,11,16H,5H2,1-4H3
InChIKeyPONFJRCNMHNVKJ-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 7287566
CID 7287566
CID 16015504
CID 16015504
CID 53624038
CID 53624038
CID 56800885
CID 56800885
CID 56800886
CID 56800886
CID 71857869
CID 71857869
CID 71857886
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CID 71871290
CID 71871290

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 54865366) is 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is CCOc1ccc(NC(C)c2csc(C)n2)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is PONFJRCNMHNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-5-18-13-6-7-14(10(2)8-13)16-11(3)15-9-19-12(4)17-15/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 276.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 54865366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).