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

C23H22N6O2S — CID 50758336

IUPAC1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H22N6O2S/c30-20-16-32-21-19(3-1-8-24-21)29(20)15-17-4-6-18(7-5-17)22(31)27-11-13-28(14-12-27)23-25-9-2-10-26-23/h1-10H,11-16H2
InChIKeyCIFUXZPGJXMHLW-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.47
Rot. Bonds4

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

1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 50758336) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID50758336
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H22N6O2S/c30-20-16-32-21-19(3-1-8-24-21)29(20)15-17-4-6-18(7-5-17)22(31)27-11-13-28(14-12-27)23-25-9-2-10-26-23/h1-10H,11-16H2
InChIKeyCIFUXZPGJXMHLW-UHFFFAOYSA-N
XLogP2.47
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 20916570
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-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46277509
[4-[(tert-butylamino)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 59768517
[4-[(4-chlorophenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9243250
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoic acid
CID 53212616
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
N-(4-fluorophenyl)-2-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methylsulfanyl]acetamide
CID 39080442
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 50758336) is 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one is O=C(c1ccc(CN2C(=O)CSc3ncccc32)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is CIFUXZPGJXMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c30-20-16-32-21-19(3-1-8-24-21)29(20)15-17-4-6-18(7-5-17)22(31)27-11-13-28(14-12-27)23-25-9-2-10-26-23/h1-10H,11-16H2.
What are the key properties of 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one?
1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 446.54 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 50758336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).