5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide

C19H12FN3O2S — CID 14460023

IUPAC5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1nccs1)C1C(=O)N2c3ccc(F)cc3Cc3cccc1c32
InChIInChI=1S/C19H12FN3O2S/c20-12-4-5-14-11(9-12)8-10-2-1-3-13-15(18(25)23(14)16(10)13)17(24)22-19-21-6-7-26-19/h1-7,9,15H,8H2,(H,21,22,24)
InChIKeySVCMBZWRYURYMW-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.59
Rot. Bonds2

About 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide

5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide (PubChem CID 14460023) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide.

Molecular Properties

Compound Name5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide
PubChem CID14460023
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1nccs1)C1C(=O)N2c3ccc(F)cc3Cc3cccc1c32
InChIInChI=1S/C19H12FN3O2S/c20-12-4-5-14-11(9-12)8-10-2-1-3-13-15(18(25)23(14)16(10)13)17(24)22-19-21-6-7-26-19/h1-7,9,15H,8H2,(H,21,22,24)
InChIKeySVCMBZWRYURYMW-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide?
The IUPAC name of 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide (CID 14460023) is 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide.
What is the SMILES notation for 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide?
The canonical SMILES for 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide is O=C(Nc1nccs1)C1C(=O)N2c3ccc(F)cc3Cc3cccc1c32.
What is the InChIKey of 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide?
The InChIKey is SVCMBZWRYURYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-12-4-5-14-11(9-12)8-10-2-1-3-13-15(18(25)23(14)16(10)13)17(24)22-19-21-6-7-26-19/h1-7,9,15H,8H2,(H,21,22,24).
What are the key properties of 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide?
5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-14-carboxamide is sourced from PubChem (CID 14460023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).