(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone

C19H20N4O5S — CID 55646254

IUPAC(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C19H20N4O5S/c24-16-4-2-1-3-15(16)19(26)22-9-7-21(8-10-22)18(25)14-5-6-17-20-29(27,28)12-11-23(17)13-14/h1-6,13,24H,7-12H2
InChIKeyCQMGGNBJJQJLEO-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.17
Rot. Bonds2

About (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone (PubChem CID 55646254) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
PubChem CID55646254
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C19H20N4O5S/c24-16-4-2-1-3-15(16)19(26)22-9-7-21(8-10-22)18(25)14-5-6-17-20-29(27,28)12-11-23(17)13-14/h1-6,13,24H,7-12H2
InChIKeyCQMGGNBJJQJLEO-UHFFFAOYSA-N
XLogP0.17
TPSA110.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771092
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]methanone
CID 41022606
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26787155
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
CID 26660476
N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27665873
2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)morpholin-2-yl]acetic acid
CID 119248345
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 56809313
[(2S)-4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 92525806
2,2-dioxo-N-[(1S,2R)-2-phenylcyclopropyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 95191213
N-methyl-N-naphthalen-2-yl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 56827764
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46653482

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone (CID 55646254) is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone is O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is CQMGGNBJJQJLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c24-16-4-2-1-3-15(16)19(26)22-9-7-21(8-10-22)18(25)14-5-6-17-20-29(27,28)12-11-23(17)13-14/h1-6,13,24H,7-12H2.
What are the key properties of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 416.46 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55646254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).