2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide

C24H30FN5O2S — CID 20890169

IUPAC2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H30FN5O2S/c1-17-14-18(2)27-24-23(17)30(22(32)16-33-24)15-21(31)26-8-5-9-28-10-12-29(13-11-28)20-7-4-3-6-19(20)25/h3-4,6-7,14H,5,8-13,15-16H2,1-2H3,(H,26,31)
InChIKeyDPZHWROFOGJWKX-UHFFFAOYSA-N
MW471.60 g/mol
LogP2.60
Rot. Bonds7

About 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 20890169) has the molecular formula C24H30FN5O2S and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
PubChem CID20890169
Molecular FormulaC24H30FN5O2S
Molecular Weight471.60 g/mol
Exact Mass471.21
IUPAC Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H30FN5O2S/c1-17-14-18(2)27-24-23(17)30(22(32)16-33-24)15-21(31)26-8-5-9-28-10-12-29(13-11-28)20-7-4-3-6-19(20)25/h3-4,6-7,14H,5,8-13,15-16H2,1-2H3,(H,26,31)
InChIKeyDPZHWROFOGJWKX-UHFFFAOYSA-N
XLogP2.60
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20890164
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
CID 20886069
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884265
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 20890160
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495492
2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22575283

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide (CID 20890169) is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide is Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is DPZHWROFOGJWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2S/c1-17-14-18(2)27-24-23(17)30(22(32)16-33-24)15-21(31)26-8-5-9-28-10-12-29(13-11-28)20-7-4-3-6-19(20)25/h3-4,6-7,14H,5,8-13,15-16H2,1-2H3,(H,26,31).
What are the key properties of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 20890169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).