2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole

C18H19NO2S2 — CID 96524217

IUPAC2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole
SMILESCO[C@@H](C)c1nc(C[S@@](=O)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C18H19NO2S2/c1-13(21-2)18-19-16(10-22-18)12-23(20)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-10,13H,11-12H2,1-2H3/t13-,23-/m0/s1
InChIKeyJGAZZQMAERCXLH-NPMABZOXSA-N
MW345.49 g/mol
LogP4.45
Rot. Bonds6

About 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole

2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole (PubChem CID 96524217) has the molecular formula C18H19NO2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole
PubChem CID96524217
Molecular FormulaC18H19NO2S2
Molecular Weight345.49 g/mol
Exact Mass345.09
IUPAC Name2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole
SMILESCO[C@@H](C)c1nc(C[S@@](=O)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C18H19NO2S2/c1-13(21-2)18-19-16(10-22-18)12-23(20)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-10,13H,11-12H2,1-2H3/t13-,23-/m0/s1
InChIKeyJGAZZQMAERCXLH-NPMABZOXSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole (CID 96524217) is 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole is CO[C@@H](C)c1nc(C[S@@](=O)Cc2cccc3ccccc23)cs1.
What is the InChIKey of 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole?
The InChIKey is JGAZZQMAERCXLH-NPMABZOXSA-N. The full InChI is InChI=1S/C18H19NO2S2/c1-13(21-2)18-19-16(10-22-18)12-23(20)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-10,13H,11-12H2,1-2H3/t13-,23-/m0/s1.
What are the key properties of 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole?
2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole has a molecular weight of 345.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-methoxyethyl]-4-[[(S)-naphthalen-1-ylmethylsulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 96524217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).