2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole

C13H13NOS2 — CID 106924341

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H13NOS2/c1-9-7-15-13(14-9)16-8-11-6-10-4-2-3-5-12(10)17-11/h2-5,7,11H,6,8H2,1H3
InChIKeyAQYDEFAIDNNJQH-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole

2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole (PubChem CID 106924341) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole
PubChem CID106924341
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole
SMILESCc1coc(SCC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H13NOS2/c1-9-7-15-13(14-9)16-8-11-6-10-4-2-3-5-12(10)17-11/h2-5,7,11H,6,8H2,1H3
InChIKeyAQYDEFAIDNNJQH-UHFFFAOYSA-N
XLogP3.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 79325640
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyrimidine
CID 79326097
3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 79325980
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-6-methylaniline
CID 79222595
5-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-1-methyl-1,2,4-triazole
CID 104603619
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(3-methylbutan-2-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 107754265
3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
CID 79327324
2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79322659
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanylmethyl)furan
CID 79326430
[2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 79227620

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole (CID 106924341) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole is Cc1coc(SCC2Cc3ccccc3S2)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole?
The InChIKey is AQYDEFAIDNNJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-9-7-15-13(14-9)16-8-11-6-10-4-2-3-5-12(10)17-11/h2-5,7,11H,6,8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole?
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole has a molecular weight of 263.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 106924341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).