N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C15H15N3O3S — CID 4963619

IUPACN-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C15H15N3O3S/c1-11-2-5-13(6-3-11)16-15(19)12-4-7-14-17-22(20,21)9-8-18(14)10-12/h2-7,10H,8-9H2,1H3,(H,16,19)
InChIKeyVVEWWMVEZAHZRT-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.43
Rot. Bonds2

About N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 4963619) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID4963619
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C15H15N3O3S/c1-11-2-5-13(6-3-11)16-15(19)12-4-7-14-17-22(20,21)9-8-18(14)10-12/h2-7,10H,8-9H2,1H3,(H,16,19)
InChIKeyVVEWWMVEZAHZRT-UHFFFAOYSA-N
XLogP1.43
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 4963619) is N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is VVEWWMVEZAHZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11-2-5-13(6-3-11)16-15(19)12-4-7-14-17-22(20,21)9-8-18(14)10-12/h2-7,10H,8-9H2,1H3,(H,16,19).
What are the key properties of N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 4963619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).