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

C15H20N2OS — CID 43672019

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2nc(C)sc2C)c1
InChIInChI=1S/C15H20N2OS/c1-10(15-11(2)19-12(3)17-15)16-14-7-5-6-13(8-14)9-18-4/h5-8,10,16H,9H2,1-4H3
InChIKeyXUFUZYKFUQRGML-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.08
Rot. Bonds5

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline (PubChem CID 43672019) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline
PubChem CID43672019
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2nc(C)sc2C)c1
InChIInChI=1S/C15H20N2OS/c1-10(15-11(2)19-12(3)17-15)16-14-7-5-6-13(8-14)9-18-4/h5-8,10,16H,9H2,1-4H3
InChIKeyXUFUZYKFUQRGML-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline (CID 43672019) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline is COCc1cccc(NC(C)c2nc(C)sc2C)c1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline?
The InChIKey is XUFUZYKFUQRGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(15-11(2)19-12(3)17-15)16-14-7-5-6-13(8-14)9-18-4/h5-8,10,16H,9H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline has a molecular weight of 276.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).