2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline

C16H20N2O2S — CID 164629291

IUPAC2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline
SMILESCOc1ccc(C)cc1NCc1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H20N2O2S/c1-11-5-6-14(19-2)13(8-11)17-9-12-10-21-16(18-12)15-4-3-7-20-15/h5-6,8,10,15,17H,3-4,7,9H2,1-2H3/t15-/m0/s1
InChIKeyLICCVPUFRAHHGL-HNNXBMFYSA-N
MW304.42 g/mol
LogP3.92
Rot. Bonds5

About 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline

2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 164629291) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline
PubChem CID164629291
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline
SMILESCOc1ccc(C)cc1NCc1csc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H20N2O2S/c1-11-5-6-14(19-2)13(8-11)17-9-12-10-21-16(18-12)15-4-3-7-20-15/h5-6,8,10,15,17H,3-4,7,9H2,1-2H3/t15-/m0/s1
InChIKeyLICCVPUFRAHHGL-HNNXBMFYSA-N
XLogP3.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline (CID 164629291) is 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline is COc1ccc(C)cc1NCc1csc([C@@H]2CCCO2)n1.
What is the InChIKey of 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is LICCVPUFRAHHGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-6-14(19-2)13(8-11)17-9-12-10-21-16(18-12)15-4-3-7-20-15/h5-6,8,10,15,17H,3-4,7,9H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline?
2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 304.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 164629291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).