1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one

C25H23FN4O2S — CID 20916570

IUPAC1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O2S/c26-20-7-9-21(10-8-20)28-12-14-29(15-13-28)25(32)19-5-3-18(4-6-19)16-30-22-2-1-11-27-24(22)33-17-23(30)31/h1-11H,12-17H2
InChIKeyIRNMDYLFKCFSNC-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.82
Rot. Bonds4

About 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one

1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 20916570) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID20916570
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O2S/c26-20-7-9-21(10-8-20)28-12-14-29(15-13-28)25(32)19-5-3-18(4-6-19)16-30-22-2-1-11-27-24(22)33-17-23(30)31/h1-11H,12-17H2
InChIKeyIRNMDYLFKCFSNC-UHFFFAOYSA-N
XLogP3.82
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one with MolForge

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Related Compounds

1-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 50758317
N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277515
4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920117
4-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012451
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 8967221
4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46277509
1-ethyl-4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
CID 53135726
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 53012453
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 20916570) is 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one is O=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is IRNMDYLFKCFSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c26-20-7-9-21(10-8-20)28-12-14-29(15-13-28)25(32)19-5-3-18(4-6-19)16-30-22-2-1-11-27-24(22)33-17-23(30)31/h1-11H,12-17H2.
What are the key properties of 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 20916570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).