thieno[3,4-g][1,2]benzoxazole-6-carboxamide

C10H6N2O2S — CID 154065680

IUPACthieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESNC(=O)c1scc2c1ccc1cnoc12
InChIInChI=1S/C10H6N2O2S/c11-10(13)9-6-2-1-5-3-12-14-8(5)7(6)4-15-9/h1-4H,(H2,11,13)
InChIKeyLVHHRIGOGVLRPA-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.14
Rot. Bonds1

About thieno[3,4-g][1,2]benzoxazole-6-carboxamide

thieno[3,4-g][1,2]benzoxazole-6-carboxamide (PubChem CID 154065680) has the molecular formula C10H6N2O2S and a molecular weight of 218.24 g/mol. Its IUPAC name is thieno[3,4-g][1,2]benzoxazole-6-carboxamide.

Molecular Properties

Compound Namethieno[3,4-g][1,2]benzoxazole-6-carboxamide
PubChem CID154065680
Molecular FormulaC10H6N2O2S
Molecular Weight218.24 g/mol
Exact Mass218.01
IUPAC Namethieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESNC(=O)c1scc2c1ccc1cnoc12
InChIInChI=1S/C10H6N2O2S/c11-10(13)9-6-2-1-5-3-12-14-8(5)7(6)4-15-9/h1-4H,(H2,11,13)
InChIKeyLVHHRIGOGVLRPA-UHFFFAOYSA-N
XLogP2.14
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The IUPAC name of thieno[3,4-g][1,2]benzoxazole-6-carboxamide (CID 154065680) is thieno[3,4-g][1,2]benzoxazole-6-carboxamide.
What is the SMILES notation for thieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The canonical SMILES for thieno[3,4-g][1,2]benzoxazole-6-carboxamide is NC(=O)c1scc2c1ccc1cnoc12.
What is the InChIKey of thieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The InChIKey is LVHHRIGOGVLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S/c11-10(13)9-6-2-1-5-3-12-14-8(5)7(6)4-15-9/h1-4H,(H2,11,13).
What are the key properties of thieno[3,4-g][1,2]benzoxazole-6-carboxamide?
thieno[3,4-g][1,2]benzoxazole-6-carboxamide has a molecular weight of 218.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-g][1,2]benzoxazole-6-carboxamide is sourced from PubChem (CID 154065680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).