4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide

C18H21N3O3S — CID 66823752

IUPAC4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1
InChIInChI=1S/C18H21N3O3S/c1-3-20(4-2)18(22)15-9-7-14(8-10-15)16-6-5-11-21-12-13-25(23,24)19-17(16)21/h5-11H,3-4,12-13H2,1-2H3
InChIKeyQEJTVLHJMVQKCY-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.12
Rot. Bonds4

About 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide

4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide (PubChem CID 66823752) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide
PubChem CID66823752
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1
InChIInChI=1S/C18H21N3O3S/c1-3-20(4-2)18(22)15-9-7-14(8-10-15)16-6-5-11-21-12-13-25(23,24)19-17(16)21/h5-11H,3-4,12-13H2,1-2H3
InChIKeyQEJTVLHJMVQKCY-UHFFFAOYSA-N
XLogP2.12
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide?
The IUPAC name of 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide (CID 66823752) is 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1.
What is the InChIKey of 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide?
The InChIKey is QEJTVLHJMVQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-20(4-2)18(22)15-9-7-14(8-10-15)16-6-5-11-21-12-13-25(23,24)19-17(16)21/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide?
4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 66823752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).