15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C21H17FN2OS — CID 89105368

IUPAC15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESO=C(Nc1nccs1)C1(CF)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C21H17FN2OS/c22-12-21(19(25)24-20-23-9-10-26-20)11-17-13-5-1-3-7-15(13)18(21)16-8-4-2-6-14(16)17/h1-10,17-18H,11-12H2,(H,23,24,25)
InChIKeyQYXSDJUEOBEXJH-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.72
Rot. Bonds3

About 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 89105368) has the molecular formula C21H17FN2OS and a molecular weight of 364.44 g/mol. Its IUPAC name is 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID89105368
Molecular FormulaC21H17FN2OS
Molecular Weight364.44 g/mol
Exact Mass364.10
IUPAC Name15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESO=C(Nc1nccs1)C1(CF)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C21H17FN2OS/c22-12-21(19(25)24-20-23-9-10-26-20)11-17-13-5-1-3-7-15(13)18(21)16-8-4-2-6-14(16)17/h1-10,17-18H,11-12H2,(H,23,24,25)
InChIKeyQYXSDJUEOBEXJH-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

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6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581944
[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate
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CID 110906941
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CID 25018995
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CID 171988441
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
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2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
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CID 87670053
15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142854082

Frequently Asked Questions

What is the IUPAC name of 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 89105368) is 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is O=C(Nc1nccs1)C1(CF)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is QYXSDJUEOBEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/c22-12-21(19(25)24-20-23-9-10-26-20)11-17-13-5-1-3-7-15(13)18(21)16-8-4-2-6-14(16)17/h1-10,17-18H,11-12H2,(H,23,24,25).
What are the key properties of 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 89105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).