2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole

C12H9NO2S3 — CID 97236392

IUPAC2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
SMILESO=[S@@](Cc1coc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C12H9NO2S3/c14-18(11-4-2-6-17-11)8-9-7-15-12(13-9)10-3-1-5-16-10/h1-7H,8H2/t18-/m0/s1
InChIKeyHHQBUYGQJPUQPA-SFHVURJKSA-N
MW295.41 g/mol
LogP3.77
Rot. Bonds4

About 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole

2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole (PubChem CID 97236392) has the molecular formula C12H9NO2S3 and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
PubChem CID97236392
Molecular FormulaC12H9NO2S3
Molecular Weight295.41 g/mol
Exact Mass294.98
IUPAC Name2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
SMILESO=[S@@](Cc1coc(-c2cccs2)n1)c1cccs1
InChIInChI=1S/C12H9NO2S3/c14-18(11-4-2-6-17-11)8-9-7-15-12(13-9)10-3-1-5-16-10/h1-7H,8H2/t18-/m0/s1
InChIKeyHHQBUYGQJPUQPA-SFHVURJKSA-N
XLogP3.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 140775055
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
2-[2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonyl]ethoxy]ethanol
CID 60563039
4-bromo-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 79533714

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole?
The IUPAC name of 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole (CID 97236392) is 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole?
The canonical SMILES for 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole is O=[S@@](Cc1coc(-c2cccs2)n1)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole?
The InChIKey is HHQBUYGQJPUQPA-SFHVURJKSA-N. The full InChI is InChI=1S/C12H9NO2S3/c14-18(11-4-2-6-17-11)8-9-7-15-12(13-9)10-3-1-5-16-10/h1-7H,8H2/t18-/m0/s1.
What are the key properties of 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole?
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole has a molecular weight of 295.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole is sourced from PubChem (CID 97236392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).