(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C19H20N8O3S — CID 55636307

IUPAC(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H20N8O3S/c28-18(16-7-4-8-24-13-14-31(29,30)21-17(16)24)25-9-11-26(12-10-25)19-20-22-23-27(19)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyFNZKQUKFWQVIGB-UHFFFAOYSA-N
MW440.49 g/mol
LogP-0.19
Rot. Bonds3

About (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 55636307) has the molecular formula C19H20N8O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID55636307
Molecular FormulaC19H20N8O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H20N8O3S/c28-18(16-7-4-8-24-13-14-31(29,30)21-17(16)24)25-9-11-26(12-10-25)19-20-22-23-27(19)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyFNZKQUKFWQVIGB-UHFFFAOYSA-N
XLogP-0.19
TPSA116.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (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) is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is FNZKQUKFWQVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3S/c28-18(16-7-4-8-24-13-14-31(29,30)21-17(16)24)25-9-11-26(12-10-25)19-20-22-23-27(19)15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 440.49 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 9 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-9-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55636307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).