(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

C22H28N4O3S — CID 26787155

IUPAC(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
SMILESCC(C)c1ccc(CN2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1
InChIInChI=1S/C22H28N4O3S/c1-17(2)19-5-3-18(4-6-19)15-24-9-11-25(12-10-24)22(27)20-7-8-21-23-30(28,29)14-13-26(21)16-20/h3-8,16-17H,9-15H2,1-2H3
InChIKeyXVEXBKUJGDXYOG-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.95
Rot. Bonds4

About (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

(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 (PubChem CID 26787155) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID26787155
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name(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
SMILESCC(C)c1ccc(CN2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1
InChIInChI=1S/C22H28N4O3S/c1-17(2)19-5-3-18(4-6-19)15-24-9-11-25(12-10-24)22(27)20-7-8-21-23-30(28,29)14-13-26(21)16-20/h3-8,16-17H,9-15H2,1-2H3
InChIKeyXVEXBKUJGDXYOG-UHFFFAOYSA-N
XLogP1.95
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119527156
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044
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-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27773653
1-methylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-thiazinane 1-oxide
CID 158612110
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 55974068
methyl 5-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate
CID 38770782
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
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-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1ccc(CN2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1.
What is the InChIKey of (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?
The InChIKey is XVEXBKUJGDXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-17(2)19-5-3-18(4-6-19)15-24-9-11-25(12-10-24)22(27)20-7-8-21-23-30(28,29)14-13-26(21)16-20/h3-8,16-17H,9-15H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 428.56 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 26787155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).