2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one

C15H13NO2S2 — CID 10518548

IUPAC2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(SCc3ccccc3)oc(=O)c2c1C
InChIInChI=1S/C15H13NO2S2/c1-9-10(2)20-13-12(9)14(17)18-15(16-13)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyRXNVZSYCKFARRV-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.16
Rot. Bonds3

About 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one

2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10518548) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID10518548
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(SCc3ccccc3)oc(=O)c2c1C
InChIInChI=1S/C15H13NO2S2/c1-9-10(2)20-13-12(9)14(17)18-15(16-13)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyRXNVZSYCKFARRV-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one with MolForge

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Related Compounds

Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Methyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 712411
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
CID 693902
5-(2,4-Dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 915989
2-(2-Fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone
CID 947436
6-methyl-2-(3-methylphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 950065
2-Methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 804822
2-(2-Fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
CID 876961
Ethyl 2-amino-4-p-tolylthiophene-3-carboxylate
CID 705801
Methyl 2-amino-4-(4-fluorophenyl)-3-thiophenecarboxylate
CID 712401
2,5,6-Trimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 384431

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one (CID 10518548) is 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one is Cc1sc2nc(SCc3ccccc3)oc(=O)c2c1C.
What is the InChIKey of 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is RXNVZSYCKFARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-9-10(2)20-13-12(9)14(17)18-15(16-13)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 303.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10518548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).