2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

C14H11NO2S2 — CID 690917

IUPAC2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccs2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C14H11NO2S2/c16-14-11-8-4-1-2-5-9(8)19-13(11)15-12(17-14)10-6-3-7-18-10/h3,6-7H,1-2,4-5H2
InChIKeyNLIOCPWLMFTKMV-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.86
Rot. Bonds1

About 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one (PubChem CID 690917) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
PubChem CID690917
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Name2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccs2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C14H11NO2S2/c16-14-11-8-4-1-2-5-9(8)19-13(11)15-12(17-14)10-6-3-7-18-10/h3,6-7H,1-2,4-5H2
InChIKeyNLIOCPWLMFTKMV-UHFFFAOYSA-N
XLogP3.86
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one (CID 690917) is 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one is O=c1oc(-c2cccs2)nc2sc3c(c12)CCCC3.
What is the InChIKey of 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
The InChIKey is NLIOCPWLMFTKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c16-14-11-8-4-1-2-5-9(8)19-13(11)15-12(17-14)10-6-3-7-18-10/h3,6-7H,1-2,4-5H2.
What are the key properties of 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one has a molecular weight of 289.38 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 690917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).