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

C23H20F2N4OS — CID 143833249

IUPACN-(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
SMILESCc1nc2c(s1)-c1cc(-c3cnc[nH]3)ccc1CCC2.O=CNc1c(F)cccc1F
InChIInChI=1S/C16H15N3S.C7H5F2NO/c1-10-19-14-4-2-3-11-5-6-12(15-8-17-9-18-15)7-13(11)16(14)20-10;8-5-2-1-3-6(9)7(5)10-4-11/h5-9H,2-4H2,1H3,(H,17,18);1-4H,(H,10,11)
InChIKeyDXKJGZRAVGWCLL-UHFFFAOYSA-N
MW438.50 g/mol
LogP5.53
Rot. Bonds3

About 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

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 (PubChem CID 143833249) has the molecular formula C23H20F2N4OS and a molecular weight of 438.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID143833249
Molecular FormulaC23H20F2N4OS
Molecular Weight438.50 g/mol
Exact Mass438.13
IUPAC NameN-(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
SMILESCc1nc2c(s1)-c1cc(-c3cnc[nH]3)ccc1CCC2.O=CNc1c(F)cccc1F
InChIInChI=1S/C16H15N3S.C7H5F2NO/c1-10-19-14-4-2-3-11-5-6-12(15-8-17-9-18-15)7-13(11)16(14)20-10;8-5-2-1-3-6(9)7(5)10-4-11/h5-9H,2-4H2,1H3,(H,17,18);1-4H,(H,10,11)
InChIKeyDXKJGZRAVGWCLL-UHFFFAOYSA-N
XLogP5.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(s1)-c1cc(-c3cnc[nH]3)ccc1CCC2.O=CNc1c(F)cccc1F.
What is the InChIKey of 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?
The InChIKey is DXKJGZRAVGWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S.C7H5F2NO/c1-10-19-14-4-2-3-11-5-6-12(15-8-17-9-18-15)7-13(11)16(14)20-10;8-5-2-1-3-6(9)7(5)10-4-11/h5-9H,2-4H2,1H3,(H,17,18);1-4H,(H,10,11).
What are the key properties of 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?
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 has a molecular weight of 438.50 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143833249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).