[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone

C19H20N4O4S — CID 55383405

IUPAC[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O4S/c24-18(15-5-2-1-3-6-15)22-9-11-23(12-10-22)19(25)16-7-4-8-21-13-14-28(26,27)20-17(16)21/h1-8H,9-14H2
InChIKeyYCNOKCNXULJKNZ-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.47
Rot. Bonds2

About [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 55383405) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID55383405
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N4O4S/c24-18(15-5-2-1-3-6-15)22-9-11-23(12-10-22)19(25)16-7-4-8-21-13-14-28(26,27)20-17(16)21/h1-8H,9-14H2
InChIKeyYCNOKCNXULJKNZ-UHFFFAOYSA-N
XLogP0.47
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636307
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
CID 55563726
N-(2-benzamidophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55679576
1,4-diazepan-1-yl-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
CID 119414823
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 25483040
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
CID 120809485
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
CID 119171374
3-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]-2-methylpropanoic acid
CID 119237007
N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777925
2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 51081159
N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
CID 119500598
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55555175

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone (CID 55383405) is [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone is O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is YCNOKCNXULJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-18(15-5-2-1-3-6-15)22-9-11-23(12-10-22)19(25)16-7-4-8-21-13-14-28(26,27)20-17(16)21/h1-8H,9-14H2.
What are the key properties of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 400.46 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 55383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).