2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone

C15H13NO2S2 — CID 43222095

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CSc2nc3ccccc3o2)s1
InChIInChI=1S/C15H13NO2S2/c1-2-10-7-8-14(20-10)12(17)9-19-15-16-11-5-3-4-6-13(11)18-15/h3-8H,2,9H2,1H3
InChIKeyKTDHBXSZNBYKSN-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.43
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 43222095) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID43222095
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CSc2nc3ccccc3o2)s1
InChIInChI=1S/C15H13NO2S2/c1-2-10-7-8-14(20-10)12(17)9-19-15-16-11-5-3-4-6-13(11)18-15/h3-8H,2,9H2,1H3
InChIKeyKTDHBXSZNBYKSN-UHFFFAOYSA-N
XLogP4.43
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 1477677
methyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 19727851
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-phenylphenyl)ethanone
CID 602357
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756631
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-hydroxy-5-methylphenyl)ethanone
CID 5012767
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 9006299
[2-(4-ethylphenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836042
ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 4784350
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,4-bis(difluoromethoxy)phenyl]ethanone
CID 7864994
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloro-2-hydroxyphenyl)ethanone
CID 10018875
2-(1,3-benzoxazol-2-ylsulfanyl)-N-hexylacetamide
CID 51156174

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone (CID 43222095) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CSc2nc3ccccc3o2)s1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is KTDHBXSZNBYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-2-10-7-8-14(20-10)12(17)9-19-15-16-11-5-3-4-6-13(11)18-15/h3-8H,2,9H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 43222095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).