N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide

C19H14F2N2OS — CID 59737931

IUPACN-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1ccccc1CCC2
InChIInChI=1S/C19H14F2N2OS/c20-13-8-4-9-14(21)16(13)23-18(24)19-22-15-10-3-6-11-5-1-2-7-12(11)17(15)25-19/h1-2,4-5,7-9H,3,6,10H2,(H,23,24)
InChIKeyWXMVNWPSWGKOQC-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.83
Rot. Bonds2

About N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide

N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide (PubChem CID 59737931) has the molecular formula C19H14F2N2OS and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
PubChem CID59737931
Molecular FormulaC19H14F2N2OS
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1ccccc1CCC2
InChIInChI=1S/C19H14F2N2OS/c20-13-8-4-9-14(21)16(13)23-18(24)19-22-15-10-3-6-11-5-1-2-7-12(11)17(15)25-19/h1-2,4-5,7-9H,3,6,10H2,(H,23,24)
InChIKeyWXMVNWPSWGKOQC-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
CID 59737959
[4-[(2,6-difluorophenyl)carbamoyl]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-13-yl] trifluoromethanesulfonate
CID 59737873
N-(2,6-difluorophenyl)-13-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
CID 89278584
2,6-difluoro-N-(3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl)benzamide;3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-amine
CID 157144493
2,6-difluoro-N-(12-iodo-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)benzamide;2,6-difluoro-N-(3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl)benzamide
CID 161119929
N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide
CID 59737950
N-(2,6-difluorophenyl)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109100371
N-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167966566
N-(2,6-difluorophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100342
N-(2,6-difluorophenyl)formamide;13-(1H-imidazol-5-yl)-4-methyl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene
CID 143833249
4-[1-(2,6-difluorophenyl)ethenylamino]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-11-ol
CID 89278362
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide (CID 59737931) is N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide is O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1ccccc1CCC2.
What is the InChIKey of N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The InChIKey is WXMVNWPSWGKOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2OS/c20-13-8-4-9-14(21)16(13)23-18(24)19-22-15-10-3-6-11-5-1-2-7-12(11)17(15)25-19/h1-2,4-5,7-9H,3,6,10H2,(H,23,24).
What are the key properties of N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide is sourced from PubChem (CID 59737931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).