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

C14H18N2OS — CID 54865777

IUPAC2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCOc1cc(C)ccc1NC(C)c1csc(C)n1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-12(14(7-9)17-4)15-10(2)13-8-18-11(3)16-13/h5-8,10,15H,1-4H3
InChIKeyVSGUPLILTCMFIN-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.94
Rot. Bonds4

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

2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 54865777) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID54865777
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCOc1cc(C)ccc1NC(C)c1csc(C)n1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-12(14(7-9)17-4)15-10(2)13-8-18-11(3)16-13/h5-8,10,15H,1-4H3
InChIKeyVSGUPLILTCMFIN-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 54865777) is 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is COc1cc(C)ccc1NC(C)c1csc(C)n1.
What is the InChIKey of 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is VSGUPLILTCMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-6-12(14(7-9)17-4)15-10(2)13-8-18-11(3)16-13/h5-8,10,15H,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 262.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 54865777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).