[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone

C24H20FN5OS — CID 52919176

IUPAC[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone
SMILESCc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1
InChIInChI=1S/C24H20FN5OS/c1-14-27-22(23(32-14)16-6-2-3-7-17(16)25)24(31)29-11-15-12-30(20(15)13-29)21-10-26-18-8-4-5-9-19(18)28-21/h2-10,15,20H,11-13H2,1H3
InChIKeyGQWQSRXZJIQFPF-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.16
Rot. Bonds3

About [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone

[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone (PubChem CID 52919176) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone
PubChem CID52919176
Molecular FormulaC24H20FN5OS
Molecular Weight445.52 g/mol
Exact Mass445.14
IUPAC Name[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone
SMILESCc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1
InChIInChI=1S/C24H20FN5OS/c1-14-27-22(23(32-14)16-6-2-3-7-17(16)25)24(31)29-11-15-12-30(20(15)13-29)21-10-26-18-8-4-5-9-19(18)28-21/h2-10,15,20H,11-13H2,1H3
InChIKeyGQWQSRXZJIQFPF-UHFFFAOYSA-N
XLogP4.16
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
The IUPAC name of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone (CID 52919176) is [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
The canonical SMILES for [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone is Cc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1.
What is the InChIKey of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
The InChIKey is GQWQSRXZJIQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5OS/c1-14-27-22(23(32-14)16-6-2-3-7-17(16)25)24(31)29-11-15-12-30(20(15)13-29)21-10-26-18-8-4-5-9-19(18)28-21/h2-10,15,20H,11-13H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone?
[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone has a molecular weight of 445.52 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(6-quinoxalin-2-yl-3,6-diazabicyclo[3.2.0]heptan-3-yl)methanone is sourced from PubChem (CID 52919176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).