[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

C20H20N4O3S2 — CID 26660476

IUPAC[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
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H20N4O3S2/c25-20(15-5-6-18-22-29(26,27)12-11-24(18)13-15)23-9-7-14(8-10-23)19-21-16-3-1-2-4-17(16)28-19/h1-6,13-14H,7-12H2
InChIKeyLVFNVRKWGJZMTF-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.50
Rot. Bonds2

About [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

[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 (PubChem CID 26660476) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID26660476
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name[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
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H20N4O3S2/c25-20(15-5-6-18-22-29(26,27)12-11-24(18)13-15)23-9-7-14(8-10-23)19-21-16-3-1-2-4-17(16)28-19/h1-6,13-14H,7-12H2
InChIKeyLVFNVRKWGJZMTF-UHFFFAOYSA-N
XLogP2.50
TPSA82.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55646254
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 21007826
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9218722
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43046487
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(2-methylpropylsulfanyl)phenyl]methanone
CID 21007846
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 25485731
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9218779
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 8751869
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 1430211

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [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?
The InChIKey is LVFNVRKWGJZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c25-20(15-5-6-18-22-29(26,27)12-11-24(18)13-15)23-9-7-14(8-10-23)19-21-16-3-1-2-4-17(16)28-19/h1-6,13-14H,7-12H2.
What are the key properties of [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?
[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 has a molecular weight of 428.54 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 26660476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).