2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide

C17H15N3O3S — CID 71460548

IUPAC2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
SMILESCCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23
InChIInChI=1S/C17H15N3O3S/c1-2-10-9-23-13-5-3-4-11-14(13)20(10)8-12(15(11)21)16(22)19-17-18-6-7-24-17/h3-8,10H,2,9H2,1H3,(H,18,19,22)
InChIKeyLFFCTZXNHKBFFY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.05
Rot. Bonds3

About 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide

2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide (PubChem CID 71460548) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide.

Molecular Properties

Compound Name2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
PubChem CID71460548
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
SMILESCCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23
InChIInChI=1S/C17H15N3O3S/c1-2-10-9-23-13-5-3-4-11-14(13)20(10)8-12(15(11)21)16(22)19-17-18-6-7-24-17/h3-8,10H,2,9H2,1H3,(H,18,19,22)
InChIKeyLFFCTZXNHKBFFY-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide?
The IUPAC name of 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide (CID 71460548) is 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide.
What is the SMILES notation for 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide?
The canonical SMILES for 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide is CCC1COc2cccc3c(=O)c(C(=O)Nc4nccs4)cn1c23.
What is the InChIKey of 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide?
The InChIKey is LFFCTZXNHKBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-10-9-23-13-5-3-4-11-14(13)20(10)8-12(15(11)21)16(22)19-17-18-6-7-24-17/h3-8,10H,2,9H2,1H3,(H,18,19,22).
What are the key properties of 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide?
2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-oxo-N-(1,3-thiazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide is sourced from PubChem (CID 71460548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).