[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone

C20H23ClN4O3S — CID 55563726

IUPAC[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1
InChIInChI=1S/C20H23ClN4O3S/c1-15(16-5-2-3-7-18(16)21)23-9-11-25(12-10-23)20(26)17-6-4-8-24-13-14-29(27,28)22-19(17)24/h2-8,15H,9-14H2,1H3
InChIKeyQSHACRGOTOUGNM-UHFFFAOYSA-N
MW434.95 g/mol
LogP2.04
Rot. Bonds3

About [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone

[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone (PubChem CID 55563726) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone.

Molecular Properties

Compound Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
PubChem CID55563726
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1
InChIInChI=1S/C20H23ClN4O3S/c1-15(16-5-2-3-7-18(16)21)23-9-11-25(12-10-23)20(26)17-6-4-8-24-13-14-29(27,28)22-19(17)24/h2-8,15H,9-14H2,1H3
InChIKeyQSHACRGOTOUGNM-UHFFFAOYSA-N
XLogP2.04
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone with MolForge

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Related Compounds

(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-2-yl]methanone
CID 55938592
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
9-(2,3-dichlorophenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
CID 66824079
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
(4-chloro-2-nitrophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 46579760
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 38418024

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
The IUPAC name of [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) is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone.
What is the SMILES notation for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
The canonical SMILES for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone is CC(c1ccccc1Cl)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1.
What is the InChIKey of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
The InChIKey is QSHACRGOTOUGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-15(16-5-2-3-7-18(16)21)23-9-11-25(12-10-23)20(26)17-6-4-8-24-13-14-29(27,28)22-19(17)24/h2-8,15H,9-14H2,1H3.
What are the key properties of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone?
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone has a molecular weight of 434.95 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)methanone is sourced from PubChem (CID 55563726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).