16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide

C20H15N3O2S — CID 14460013

IUPAC16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
SMILESO=C(Nc1nccs1)C1C(=O)N2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C20H15N3O2S/c24-18(22-20-21-10-11-26-20)16-14-6-3-5-13-9-8-12-4-1-2-7-15(12)23(17(13)14)19(16)25/h1-7,10-11,16H,8-9H2,(H,21,22,24)
InChIKeyPJXDFVUCESIRMW-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.64
Rot. Bonds2

About 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide

16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide (PubChem CID 14460013) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
PubChem CID14460013
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
SMILESO=C(Nc1nccs1)C1C(=O)N2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C20H15N3O2S/c24-18(22-20-21-10-11-26-20)16-14-6-3-5-13-9-8-12-4-1-2-7-15(12)23(17(13)14)19(16)25/h1-7,10-11,16H,8-9H2,(H,21,22,24)
InChIKeyPJXDFVUCESIRMW-UHFFFAOYSA-N
XLogP3.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
The IUPAC name of 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide (CID 14460013) is 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide.
What is the SMILES notation for 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
The canonical SMILES for 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide is O=C(Nc1nccs1)C1C(=O)N2c3ccccc3CCc3cccc1c32.
What is the InChIKey of 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
The InChIKey is PJXDFVUCESIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-18(22-20-21-10-11-26-20)16-14-6-3-5-13-9-8-12-4-1-2-7-15(12)23(17(13)14)19(16)25/h1-7,10-11,16H,8-9H2,(H,21,22,24).
What are the key properties of 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide is sourced from PubChem (CID 14460013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).