N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline

C15H20N2OS — CID 55242914

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H20N2OS/c1-9-6-7-13(14(8-9)18-5)17-11(3)15-10(2)16-12(4)19-15/h6-8,11,17H,1-5H3
InChIKeyKXLMSGPQBDVCGO-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.25
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline (PubChem CID 55242914) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline
PubChem CID55242914
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H20N2OS/c1-9-6-7-13(14(8-9)18-5)17-11(3)15-10(2)16-12(4)19-15/h6-8,11,17H,1-5H3
InChIKeyKXLMSGPQBDVCGO-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline (CID 55242914) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline is COc1cc(C)ccc1NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline?
The InChIKey is KXLMSGPQBDVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-6-7-13(14(8-9)18-5)17-11(3)15-10(2)16-12(4)19-15/h6-8,11,17H,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline has a molecular weight of 276.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 55242914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).